N-[(3-methyl-1-phenylbutylidene)amino]-2,2-diphenylcyclopropane-1-carboxamide

C27H28N2O — CID 4530150

IUPACN-[(3-methyl-1-phenylbutylidene)amino]-2,2-diphenylcyclopropane-1-carboxamide
SMILESCC(C)CC(=NNC(=O)C1CC1(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H28N2O/c1-20(2)18-25(21-12-6-3-7-13-21)28-29-26(30)24-19-27(24,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,24H,18-19H2,1-2H3,(H,29,30)
InChIKeyWLFQIEUSJCOLFD-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.56
Rot. Bonds7

About N-[(3-methyl-1-phenylbutylidene)amino]-2,2-diphenylcyclopropane-1-carboxamide

N-[(3-methyl-1-phenylbutylidene)amino]-2,2-diphenylcyclopropane-1-carboxamide (PubChem CID 4530150) has the molecular formula C27H28N2O and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[(3-methyl-1-phenylbutylidene)amino]-2,2-diphenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-1-phenylbutylidene)amino]-2,2-diphenylcyclopropane-1-carboxamide
PubChem CID4530150
Molecular FormulaC27H28N2O
Molecular Weight396.53 g/mol
Exact Mass396.22
IUPAC NameN-[(3-methyl-1-phenylbutylidene)amino]-2,2-diphenylcyclopropane-1-carboxamide
SMILESCC(C)CC(=NNC(=O)C1CC1(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H28N2O/c1-20(2)18-25(21-12-6-3-7-13-21)28-29-26(30)24-19-27(24,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,24H,18-19H2,1-2H3,(H,29,30)
InChIKeyWLFQIEUSJCOLFD-UHFFFAOYSA-N
XLogP5.56
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(1R)-2,2-diphenyl-N-[(Z)-1-phenylbutylideneamino]cyclopropane-1-carboxamide
CID 7452244
(1S)-2,2-diphenyl-N-[(Z)-1-phenylpentylideneamino]cyclopropane-1-carboxamide
CID 7285249
(1R)-N-[1-(4-methylphenyl)butylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 129438757
N-[(E)-butan-2-ylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 25250653
N-[(E)-1-(4-fluorophenyl)butylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 56692976
(1S)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135780050
(1R)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 7452248
N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 11835636
(1S)-N-[1-(4-methoxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 1378728
(Z)-N-[(1S)-2,2-diphenylcyclopropanecarbonyl]-3-phenylprop-2-enehydrazonoyl bromide
CID 129440125
(3S)-N-[(E)-(3-methyl-1-phenylbutylidene)amino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7493697
N-[(3-methyl-1-phenylbutylidene)amino]-4-phenylbenzamide
CID 4581663

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1-phenylbutylidene)amino]-2,2-diphenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(3-methyl-1-phenylbutylidene)amino]-2,2-diphenylcyclopropane-1-carboxamide (CID 4530150) is N-[(3-methyl-1-phenylbutylidene)amino]-2,2-diphenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3-methyl-1-phenylbutylidene)amino]-2,2-diphenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(3-methyl-1-phenylbutylidene)amino]-2,2-diphenylcyclopropane-1-carboxamide is CC(C)CC(=NNC(=O)C1CC1(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(3-methyl-1-phenylbutylidene)amino]-2,2-diphenylcyclopropane-1-carboxamide?
The InChIKey is WLFQIEUSJCOLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O/c1-20(2)18-25(21-12-6-3-7-13-21)28-29-26(30)24-19-27(24,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,24H,18-19H2,1-2H3,(H,29,30).
What are the key properties of N-[(3-methyl-1-phenylbutylidene)amino]-2,2-diphenylcyclopropane-1-carboxamide?
N-[(3-methyl-1-phenylbutylidene)amino]-2,2-diphenylcyclopropane-1-carboxamide has a molecular weight of 396.53 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1-phenylbutylidene)amino]-2,2-diphenylcyclopropane-1-carboxamide is sourced from PubChem (CID 4530150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).