cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide

C19H20N2O4 — CID 24799778

IUPACcis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESNC(=O)[C@@]1(Cc2ccc(OCc3ccccc3)cc2)C[C@@H]1C(=O)NO
InChIInChI=1S/C19H20N2O4/c20-18(23)19(11-16(19)17(22)21-24)10-13-6-8-15(9-7-13)25-12-14-4-2-1-3-5-14/h1-9,16,24H,10-12H2,(H2,20,23)(H,21,22)/t16-,19+/m1/s1
InChIKeyKJHGYXBQRZPENB-APWZRJJASA-N
MW340.38 g/mol
LogP1.81
Rot. Bonds7

About cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide

cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide (PubChem CID 24799778) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
PubChem CID24799778
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namecis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESNC(=O)[C@@]1(Cc2ccc(OCc3ccccc3)cc2)C[C@@H]1C(=O)NO
InChIInChI=1S/C19H20N2O4/c20-18(23)19(11-16(19)17(22)21-24)10-13-6-8-15(9-7-13)25-12-14-4-2-1-3-5-14/h1-9,16,24H,10-12H2,(H2,20,23)(H,21,22)/t16-,19+/m1/s1
InChIKeyKJHGYXBQRZPENB-APWZRJJASA-N
XLogP1.81
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-7-(4-phenylphenoxy)heptanamide
CID 22915465
A-161906
CID 9949740
Methyl (1R,2R)-1-[3-(cyclohexylmethoxy)phenyl]-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate
CID 10150046
methyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-(2-phenylethoxy)phenyl]cyclopropane-1-carboxylate
CID 10215513
methyl (1R,2R)-1-{3-[(3-fluorophenyl)methoxy]phenyl}-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate
CID 24799438
methyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-(2-methylphenoxy)phenyl]cyclopropane-1-carboxylate
CID 24799441
methyl (1R,2R)-2-(hydroxycarbamoyl)-1-[3-(4-methylphenoxy)phenyl]cyclopropane-1-carboxylate
CID 24799442
methyl (1R,2S)-1-({4-[(2-chlorophenyl)methoxy]phenyl}methyl)-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate
CID 24799951
methyl (1R,2S)-1-{[4-(but-2-yn-1-yloxy)phenyl]methyl}-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate
CID 24799956
(1R,2S)-1-{[4-(but-2-yn-1-yloxy)phenyl]methyl}-2-N-hydroxycyclopropane-1,2-dicarboxamide
CID 24799957
methyl (1R,2R)-2-(hydroxycarbamoyl)-1-{3-[(3-methoxyphenyl)methoxy]phenyl}cyclopropane-1-carboxylate
CID 24801014
methyl (1R,2S)-1-{[4-(benzyloxy)phenyl]methyl}-2-(hydroxycarbamoyl)cyclopropane-1-carboxylate
CID 24860419

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide (CID 24799778) is cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide is NC(=O)[C@@]1(Cc2ccc(OCc3ccccc3)cc2)C[C@@H]1C(=O)NO.
What is the InChIKey of cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is KJHGYXBQRZPENB-APWZRJJASA-N. The full InChI is InChI=1S/C19H20N2O4/c20-18(23)19(11-16(19)17(22)21-24)10-13-6-8-15(9-7-13)25-12-14-4-2-1-3-5-14/h1-9,16,24H,10-12H2,(H2,20,23)(H,21,22)/t16-,19+/m1/s1.
What are the key properties of cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide?
cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.81, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-N-hydroxy-1-[(4-phenylmethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 24799778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).