2,2-diphenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide

C26H26N2O4 — CID 162647013

IUPAC2,2-diphenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide
SMILESCOc1cc(/C=N/NC(=O)C2CC2(c2ccccc2)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C26H26N2O4/c1-30-22-14-18(15-23(31-2)24(22)32-3)17-27-28-25(29)21-16-26(21,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,17,21H,16H2,1-3H3,(H,28,29)/b27-17+
InChIKeyWDWWQYANTYCWIN-WPWMEQJKSA-N
MW430.50 g/mol
LogP4.17
Rot. Bonds8

About 2,2-diphenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide

2,2-diphenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide (PubChem CID 162647013) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 2,2-diphenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-diphenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide
PubChem CID162647013
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name2,2-diphenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide
SMILESCOc1cc(/C=N/NC(=O)C2CC2(c2ccccc2)c2ccccc2)cc(OC)c1OC
InChIInChI=1S/C26H26N2O4/c1-30-22-14-18(15-23(31-2)24(22)32-3)17-27-28-25(29)21-16-26(21,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,17,21H,16H2,1-3H3,(H,28,29)/b27-17+
InChIKeyWDWWQYANTYCWIN-WPWMEQJKSA-N
XLogP4.17
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(1S)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135851694
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 16760798
(1R)-N-[(3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 1237555
(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
(1R)-N-[(3,5-diiodo-2-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 129438356
[4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate
CID 4051908
(1R)-N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135827827
(1R)-N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135796336
(3S,4R)-2-oxo-4-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide
CID 98233687
(1S)-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 6894206
[4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]phenyl] benzoate
CID 3683774

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-diphenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide (CID 162647013) is 2,2-diphenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-diphenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-diphenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide is COc1cc(/C=N/NC(=O)C2CC2(c2ccccc2)c2ccccc2)cc(OC)c1OC.
What is the InChIKey of 2,2-diphenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide?
The InChIKey is WDWWQYANTYCWIN-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-30-22-14-18(15-23(31-2)24(22)32-3)17-27-28-25(29)21-16-26(21,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-15,17,21H,16H2,1-3H3,(H,28,29)/b27-17+.
What are the key properties of 2,2-diphenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide?
2,2-diphenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide has a molecular weight of 430.50 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide is sourced from PubChem (CID 162647013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).