(1R)-N-[(3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide

C24H22N2O2 — CID 1237555

IUPAC(1R)-N-[(3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
SMILESCOc1cccc(C=NNC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H22N2O2/c1-28-21-14-8-9-18(15-21)17-25-26-23(27)22-16-24(22,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,17,22H,16H2,1H3,(H,26,27)/t22-/m0/s1
InChIKeyPUEHBGRDVVNLPJ-QFIPXVFZSA-N
MW370.45 g/mol
LogP4.15
Rot. Bonds6

About (1R)-N-[(3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide

(1R)-N-[(3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide (PubChem CID 1237555) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is (1R)-N-[(3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
PubChem CID1237555
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name(1R)-N-[(3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
SMILESCOc1cccc(C=NNC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H22N2O2/c1-28-21-14-8-9-18(15-21)17-25-26-23(27)22-16-24(22,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,17,22H,16H2,1H3,(H,26,27)/t22-/m0/s1
InChIKeyPUEHBGRDVVNLPJ-QFIPXVFZSA-N
XLogP4.15
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate
CID 4051908
(1S)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135851694
2,2-diphenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 162647013
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 16760798
[3-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 3954958
(1S)-N-(3-methoxyphenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 780566
[(E)-(3-methoxyphenyl)methylideneamino]carbamic acid
CID 87622449
(1S)-N-[(Z)-(5-chloro-2-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 7037543
N-[(5-chloro-2-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 2837311
[4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]phenyl] benzoate
CID 3683774
(1S)-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 6894206
1,3-bis[(Z)-(3-methoxyphenyl)methylideneamino]urea
CID 5414266

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-[(3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide (CID 1237555) is (1R)-N-[(3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-[(3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-[(3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is COc1cccc(C=NNC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (1R)-N-[(3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
The InChIKey is PUEHBGRDVVNLPJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-28-21-14-8-9-18(15-21)17-25-26-23(27)22-16-24(22,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,17,22H,16H2,1H3,(H,26,27)/t22-/m0/s1.
What are the key properties of (1R)-N-[(3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide?
(1R)-N-[(3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is sourced from PubChem (CID 1237555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).