2,2-diphenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide

C30H26N2O2 — CID 4177056

IUPAC2,2-diphenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide
SMILESO=C(NN=Cc1ccc(OCc2ccccc2)cc1)C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H26N2O2/c33-29(28-20-30(28,25-12-6-2-7-13-25)26-14-8-3-9-15-26)32-31-21-23-16-18-27(19-17-23)34-22-24-10-4-1-5-11-24/h1-19,21,28H,20,22H2,(H,32,33)
InChIKeyVUOOXHCGMFAGEX-UHFFFAOYSA-N
MW446.55 g/mol
LogP5.72
Rot. Bonds8

About 2,2-diphenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide

2,2-diphenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide (PubChem CID 4177056) has the molecular formula C30H26N2O2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 2,2-diphenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-diphenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide
PubChem CID4177056
Molecular FormulaC30H26N2O2
Molecular Weight446.55 g/mol
Exact Mass446.20
IUPAC Name2,2-diphenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide
SMILESO=C(NN=Cc1ccc(OCc2ccccc2)cc1)C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H26N2O2/c33-29(28-20-30(28,25-12-6-2-7-13-25)26-14-8-3-9-15-26)32-31-21-23-16-18-27(19-17-23)34-22-24-10-4-1-5-11-24/h1-19,21,28H,20,22H2,(H,32,33)
InChIKeyVUOOXHCGMFAGEX-UHFFFAOYSA-N
XLogP5.72
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 55.72
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]phenyl] benzoate
CID 3683774
N,N'-bis[(4-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 3730577
1-hydroxy-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]urea
CID 101171447
2-(4-phenylmethoxyphenoxy)-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4259945
[4-[[(2,2-diphenylcyclopropanecarbonyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate
CID 4620113
(1R)-N-[(3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 1237555
N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 2692945
2-[2-oxo-2-[2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]-N-[(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 171157296
(1S)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135851694
1-(1-adamantyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]thiourea
CID 5201586
2-methyl-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 916420
4-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6117105

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-diphenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide (CID 4177056) is 2,2-diphenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-diphenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-diphenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide is O=C(NN=Cc1ccc(OCc2ccccc2)cc1)C1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide?
The InChIKey is VUOOXHCGMFAGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O2/c33-29(28-20-30(28,25-12-6-2-7-13-25)26-14-8-3-9-15-26)32-31-21-23-16-18-27(19-17-23)34-22-24-10-4-1-5-11-24/h1-19,21,28H,20,22H2,(H,32,33).
What are the key properties of 2,2-diphenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide?
2,2-diphenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 5.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-[(4-phenylmethoxyphenyl)methylideneamino]cyclopropane-1-carboxamide is sourced from PubChem (CID 4177056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).