cis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;trans-methyl (1R,2R)-1-[3-(cyclobutylmethoxy)phenyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;trans-methyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[3-(3-methoxyphenyl)prop-2-ynoxy]phenyl]cyclopropane-1-carboxylate

C59H64N4O15 — CID 160652679

IUPACcis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;trans-methyl (1R,2R)-1-[3-(cyclobutylmethoxy)phenyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;trans-methyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[3-(3-methoxyphenyl)prop-2-ynoxy]phenyl]cyclopropane-1-carboxylate
SMILESCNC(=O)[C@@]1(Cc2ccc(OCc3ccccc3)cc2)C[C@@H]1C(=O)NO.COC(=O)[C@]1(c2cccc(OCC#Cc3cccc(OC)c3)c2)C[C@H]1C(=O)NO.COC(=O)[C@]1(c2cccc(OCC3CCC3)c2)C[C@H]1C(=O)NO
InChIInChI=1S/C22H21NO6.C20H22N2O4.C17H21NO5/c1-27-17-9-3-6-15(12-17)7-5-11-29-18-10-4-8-16(13-18)22(21(25)28-2)14-19(22)20(24)23-26;1-21-19(24)20(12-17(20)18(23)22-25)11-14-7-9-16(10-8-14)26-13-15-5-3-2-4-6-15;1-22-16(20)17(9-14(17)15(19)18-21)12-6-3-7-13(8-12)23-10-11-4-2-5-11/h3-4,6,8-10,12-13,19,26H,11,14H2,1-2H3,(H,23,24);2-10,17,25H,11-13H2,1H3,(H,21,24)(H,22,23);3,6-8,11,14,21H,2,4-5,9-10H2,1H3,(H,18,19)/t19-,22-;17-,20+;14-,17-/m010/s1
InChIKeyRKQAXPHCIMKFLP-PJKIVMAZSA-N
MW1069.17 g/mol
LogP5.93
Rot. Bonds19

About cis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;trans-methyl (1R,2R)-1-[3-(cyclobutylmethoxy)phenyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;trans-methyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[3-(3-methoxyphenyl)prop-2-ynoxy]phenyl]cyclopropane-1-carboxylate

cis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;trans-methyl (1R,2R)-1-[3-(cyclobutylmethoxy)phenyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;trans-methyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[3-(3-methoxyphenyl)prop-2-ynoxy]phenyl]cyclopropane-1-carboxylate (PubChem CID 160652679) has the molecular formula C59H64N4O15 and a molecular weight of 1069.17 g/mol. Its IUPAC name is cis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;trans-methyl (1R,2R)-1-[3-(cyclobutylmethoxy)phenyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;trans-methyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[3-(3-methoxyphenyl)prop-2-ynoxy]phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;trans-methyl (1R,2R)-1-[3-(cyclobutylmethoxy)phenyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;trans-methyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[3-(3-methoxyphenyl)prop-2-ynoxy]phenyl]cyclopropane-1-carboxylate
PubChem CID160652679
Molecular FormulaC59H64N4O15
Molecular Weight1069.17 g/mol
Exact Mass1068.44
IUPAC Namecis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;trans-methyl (1R,2R)-1-[3-(cyclobutylmethoxy)phenyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;trans-methyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[3-(3-methoxyphenyl)prop-2-ynoxy]phenyl]cyclopropane-1-carboxylate
SMILESCNC(=O)[C@@]1(Cc2ccc(OCc3ccccc3)cc2)C[C@@H]1C(=O)NO.COC(=O)[C@]1(c2cccc(OCC#Cc3cccc(OC)c3)c2)C[C@H]1C(=O)NO.COC(=O)[C@]1(c2cccc(OCC3CCC3)c2)C[C@H]1C(=O)NO
InChIInChI=1S/C22H21NO6.C20H22N2O4.C17H21NO5/c1-27-17-9-3-6-15(12-17)7-5-11-29-18-10-4-8-16(13-18)22(21(25)28-2)14-19(22)20(24)23-26;1-21-19(24)20(12-17(20)18(23)22-25)11-14-7-9-16(10-8-14)26-13-15-5-3-2-4-6-15;1-22-16(20)17(9-14(17)15(19)18-21)12-6-3-7-13(8-12)23-10-11-4-2-5-11/h3-4,6,8-10,12-13,19,26H,11,14H2,1-2H3,(H,23,24);2-10,17,25H,11-13H2,1H3,(H,21,24)(H,22,23);3,6-8,11,14,21H,2,4-5,9-10H2,1H3,(H,18,19)/t19-,22-;17-,20+;14-,17-/m010/s1
InChIKeyRKQAXPHCIMKFLP-PJKIVMAZSA-N
XLogP5.93
TPSA266.61 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms78
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001069.17
LogP ≤ 55.93
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze cis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;trans-methyl (1R,2R)-1-[3-(cyclobutylmethoxy)phenyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;trans-methyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[3-(3-methoxyphenyl)prop-2-ynoxy]phenyl]cyclopropane-1-carboxylate with MolForge

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Related Compounds

2-N-hydroxy-1-N-[(4-methoxyphenyl)methyl]-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 20748512
methyl 1-[[4-(cyclohexylmethoxy)phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate
CID 20748765
trans-(1S,2S)-2-methoxycarbonyl-2-(3-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 10172009
trans-methyl (1S,2S)-2-(hydroxycarbamoyl)-1-[3-[[3-[hydroxy(oxido)amino]phenyl]methoxy]phenyl]cyclopropane-1-carboxylate
CID 163707729
methyl 1-[(4-but-2-ynoxyphenyl)methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate
CID 20748764
methyl 2-(hydroxycarbamoyl)-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropane-1-carboxylate
CID 20748808
methyl 1-[[4-[(3,5-dichlorophenyl)methoxy]phenyl]methyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate
CID 20748756
cis-methyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropane-1-carboxylate
CID 59978369
cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-(3-methoxyphenoxy)phenyl]methyl]cyclopropane-1-carboxylate
CID 59978658
methyl 1-[3-(4-methoxyphenoxy)phenyl]-2-(nitrosocarbamoyl)cyclopropane-1-carboxylate
CID 142258797
cis-2-O-tert-butyl 1-O-methyl (1S,2R)-1-[(3-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxylate;cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-[(4-methylsulfanylphenyl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;cis-1-O-ethyl 2-O-methyl (1R,2S)-1-[[4-(1,2,3,4-tetrahydroacridin-9-ylmethoxy)phenyl]methyl]cyclopropane-1,2-dicarboxylate;trans-(1S,2S)-2-N-hydroxy-1-(4-phenylmethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 159142212
cis-(1S,2R)-2-ethoxycarbonyl-2-[[4-[[2-(trifluoromethyl)quinolin-4-yl]methoxy]phenyl]methyl]cyclopropane-1-carboxylic acid;cis-ethyl (1R,2S)-2-[[(2S)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]carbamoyl]-1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxylate;trans-propyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[(2-methylquinolin-4-yl)methoxy]phenyl]cyclopropane-1-carboxylate
CID 157072076

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;trans-methyl (1R,2R)-1-[3-(cyclobutylmethoxy)phenyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;trans-methyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[3-(3-methoxyphenyl)prop-2-ynoxy]phenyl]cyclopropane-1-carboxylate?
The IUPAC name of cis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;trans-methyl (1R,2R)-1-[3-(cyclobutylmethoxy)phenyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;trans-methyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[3-(3-methoxyphenyl)prop-2-ynoxy]phenyl]cyclopropane-1-carboxylate (CID 160652679) is cis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;trans-methyl (1R,2R)-1-[3-(cyclobutylmethoxy)phenyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;trans-methyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[3-(3-methoxyphenyl)prop-2-ynoxy]phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for cis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;trans-methyl (1R,2R)-1-[3-(cyclobutylmethoxy)phenyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;trans-methyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[3-(3-methoxyphenyl)prop-2-ynoxy]phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for cis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;trans-methyl (1R,2R)-1-[3-(cyclobutylmethoxy)phenyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;trans-methyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[3-(3-methoxyphenyl)prop-2-ynoxy]phenyl]cyclopropane-1-carboxylate is CNC(=O)[C@@]1(Cc2ccc(OCc3ccccc3)cc2)C[C@@H]1C(=O)NO.COC(=O)[C@]1(c2cccc(OCC#Cc3cccc(OC)c3)c2)C[C@H]1C(=O)NO.COC(=O)[C@]1(c2cccc(OCC3CCC3)c2)C[C@H]1C(=O)NO.
What is the InChIKey of cis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;trans-methyl (1R,2R)-1-[3-(cyclobutylmethoxy)phenyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;trans-methyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[3-(3-methoxyphenyl)prop-2-ynoxy]phenyl]cyclopropane-1-carboxylate?
The InChIKey is RKQAXPHCIMKFLP-PJKIVMAZSA-N. The full InChI is InChI=1S/C22H21NO6.C20H22N2O4.C17H21NO5/c1-27-17-9-3-6-15(12-17)7-5-11-29-18-10-4-8-16(13-18)22(21(25)28-2)14-19(22)20(24)23-26;1-21-19(24)20(12-17(20)18(23)22-25)11-14-7-9-16(10-8-14)26-13-15-5-3-2-4-6-15;1-22-16(20)17(9-14(17)15(19)18-21)12-6-3-7-13(8-12)23-10-11-4-2-5-11/h3-4,6,8-10,12-13,19,26H,11,14H2,1-2H3,(H,23,24);2-10,17,25H,11-13H2,1H3,(H,21,24)(H,22,23);3,6-8,11,14,21H,2,4-5,9-10H2,1H3,(H,18,19)/t19-,22-;17-,20+;14-,17-/m010/s1.
What are the key properties of cis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;trans-methyl (1R,2R)-1-[3-(cyclobutylmethoxy)phenyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;trans-methyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[3-(3-methoxyphenyl)prop-2-ynoxy]phenyl]cyclopropane-1-carboxylate?
cis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;trans-methyl (1R,2R)-1-[3-(cyclobutylmethoxy)phenyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;trans-methyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[3-(3-methoxyphenyl)prop-2-ynoxy]phenyl]cyclopropane-1-carboxylate has a molecular weight of 1069.17 g/mol, XLogP of 5.93, 19 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-N-hydroxy-1-N-methyl-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide;trans-methyl (1R,2R)-1-[3-(cyclobutylmethoxy)phenyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate;trans-methyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-[3-(3-methoxyphenyl)prop-2-ynoxy]phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 160652679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).