methyl 1-[3-(4-methoxyphenoxy)phenyl]-2-(nitrosocarbamoyl)cyclopropane-1-carboxylate

C19H18N2O6 — CID 142258797

IUPACmethyl 1-[3-(4-methoxyphenoxy)phenyl]-2-(nitrosocarbamoyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2cccc(Oc3ccc(OC)cc3)c2)CC1C(=O)NN=O
InChIInChI=1S/C19H18N2O6/c1-25-13-6-8-14(9-7-13)27-15-5-3-4-12(10-15)19(18(23)26-2)11-16(19)17(22)20-21-24/h3-10,16H,11H2,1-2H3,(H,20,22,24)
InChIKeyMTZUEFAJFKARLH-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.72
Rot. Bonds7

About methyl 1-[3-(4-methoxyphenoxy)phenyl]-2-(nitrosocarbamoyl)cyclopropane-1-carboxylate

methyl 1-[3-(4-methoxyphenoxy)phenyl]-2-(nitrosocarbamoyl)cyclopropane-1-carboxylate (PubChem CID 142258797) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is methyl 1-[3-(4-methoxyphenoxy)phenyl]-2-(nitrosocarbamoyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(4-methoxyphenoxy)phenyl]-2-(nitrosocarbamoyl)cyclopropane-1-carboxylate
PubChem CID142258797
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Namemethyl 1-[3-(4-methoxyphenoxy)phenyl]-2-(nitrosocarbamoyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2cccc(Oc3ccc(OC)cc3)c2)CC1C(=O)NN=O
InChIInChI=1S/C19H18N2O6/c1-25-13-6-8-14(9-7-13)27-15-5-3-4-12(10-15)19(18(23)26-2)11-16(19)17(22)20-21-24/h3-10,16H,11H2,1-2H3,(H,20,22,24)
InChIKeyMTZUEFAJFKARLH-UHFFFAOYSA-N
XLogP2.72
TPSA103.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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-(3-bromophenyl)-2-methylcyclopropane-1-carboxylate
CID 116843024
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
cis-ethyl (1R,2S)-2-(hydroxycarbamoyl)-1-[[4-(3-methoxyphenoxy)phenyl]methyl]cyclopropane-1-carboxylate
CID 59978658
(1S)-N-(3-methoxyphenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 780566
(1R)-N-[(3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 1237555
(1S)-N-[1-(4-methoxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 1378728
ethane;methyl 3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carboxylate
CID 145039195
methyl 3-(3-methoxyphenyl)-3-methyl-2-propan-2-yloxirane-2-carboxylate
CID 79298856
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
trans-methyl (1R,2S)-1-(3-bromophenyl)-2-phenylcyclopropane-1-carboxylate
CID 139247056

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(4-methoxyphenoxy)phenyl]-2-(nitrosocarbamoyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[3-(4-methoxyphenoxy)phenyl]-2-(nitrosocarbamoyl)cyclopropane-1-carboxylate (CID 142258797) is methyl 1-[3-(4-methoxyphenoxy)phenyl]-2-(nitrosocarbamoyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[3-(4-methoxyphenoxy)phenyl]-2-(nitrosocarbamoyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[3-(4-methoxyphenoxy)phenyl]-2-(nitrosocarbamoyl)cyclopropane-1-carboxylate is COC(=O)C1(c2cccc(Oc3ccc(OC)cc3)c2)CC1C(=O)NN=O.
What is the InChIKey of methyl 1-[3-(4-methoxyphenoxy)phenyl]-2-(nitrosocarbamoyl)cyclopropane-1-carboxylate?
The InChIKey is MTZUEFAJFKARLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c1-25-13-6-8-14(9-7-13)27-15-5-3-4-12(10-15)19(18(23)26-2)11-16(19)17(22)20-21-24/h3-10,16H,11H2,1-2H3,(H,20,22,24).
What are the key properties of methyl 1-[3-(4-methoxyphenoxy)phenyl]-2-(nitrosocarbamoyl)cyclopropane-1-carboxylate?
methyl 1-[3-(4-methoxyphenoxy)phenyl]-2-(nitrosocarbamoyl)cyclopropane-1-carboxylate has a molecular weight of 370.36 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(4-methoxyphenoxy)phenyl]-2-(nitrosocarbamoyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 142258797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).