(1S)-2,2-diphenyl-N-[(Z)-1-phenylpentylideneamino]cyclopropane-1-carboxamide

C27H28N2O — CID 7285249

IUPAC(1S)-2,2-diphenyl-N-[(Z)-1-phenylpentylideneamino]cyclopropane-1-carboxamide
SMILESCCCC/C(=N/NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H28N2O/c1-2-3-19-25(21-13-7-4-8-14-21)28-29-26(30)24-20-27(24,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24H,2-3,19-20H2,1H3,(H,29,30)/b28-25-/t24-/m1/s1
InChIKeyBIDRUTJBAYJPOF-UPIHBEMDSA-N
MW396.53 g/mol
LogP5.70
Rot. Bonds8

About (1S)-2,2-diphenyl-N-[(Z)-1-phenylpentylideneamino]cyclopropane-1-carboxamide

(1S)-2,2-diphenyl-N-[(Z)-1-phenylpentylideneamino]cyclopropane-1-carboxamide (PubChem CID 7285249) has the molecular formula C27H28N2O and a molecular weight of 396.53 g/mol. Its IUPAC name is (1S)-2,2-diphenyl-N-[(Z)-1-phenylpentylideneamino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-diphenyl-N-[(Z)-1-phenylpentylideneamino]cyclopropane-1-carboxamide
PubChem CID7285249
Molecular FormulaC27H28N2O
Molecular Weight396.53 g/mol
Exact Mass396.22
IUPAC Name(1S)-2,2-diphenyl-N-[(Z)-1-phenylpentylideneamino]cyclopropane-1-carboxamide
SMILESCCCC/C(=N/NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H28N2O/c1-2-3-19-25(21-13-7-4-8-14-21)28-29-26(30)24-20-27(24,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24H,2-3,19-20H2,1H3,(H,29,30)/b28-25-/t24-/m1/s1
InChIKeyBIDRUTJBAYJPOF-UPIHBEMDSA-N
XLogP5.70
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.70
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
(1R)-N-[1-(4-methylphenyl)butylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 129438757
N-[(E)-1-(4-fluorophenyl)butylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 56692976
N-[(3-methyl-1-phenylbutylidene)amino]-2,2-diphenylcyclopropane-1-carboxamide
CID 4530150
N-[(E)-butan-2-ylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 25250653
(1S)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135780050
N-(1-phenylpentylideneamino)octanamide
CID 4676930
(1R)-N-[(Z)-1-naphthalen-2-ylethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 7452248
cis-(1S,2R)-2-phenyl-N-(1-phenylhexylideneamino)cyclopropane-1-carboxamide
CID 7209886
N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 11835636
1-butyl-3-[(2,2-diphenylcyclopropanecarbonyl)amino]urea
CID 3548176
(1S)-N-[1-(4-methoxyphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 1378728

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-diphenyl-N-[(Z)-1-phenylpentylideneamino]cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-diphenyl-N-[(Z)-1-phenylpentylideneamino]cyclopropane-1-carboxamide (CID 7285249) is (1S)-2,2-diphenyl-N-[(Z)-1-phenylpentylideneamino]cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-diphenyl-N-[(Z)-1-phenylpentylideneamino]cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-diphenyl-N-[(Z)-1-phenylpentylideneamino]cyclopropane-1-carboxamide is CCCC/C(=N/NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-2,2-diphenyl-N-[(Z)-1-phenylpentylideneamino]cyclopropane-1-carboxamide?
The InChIKey is BIDRUTJBAYJPOF-UPIHBEMDSA-N. The full InChI is InChI=1S/C27H28N2O/c1-2-3-19-25(21-13-7-4-8-14-21)28-29-26(30)24-20-27(24,22-15-9-5-10-16-22)23-17-11-6-12-18-23/h4-18,24H,2-3,19-20H2,1H3,(H,29,30)/b28-25-/t24-/m1/s1.
What are the key properties of (1S)-2,2-diphenyl-N-[(Z)-1-phenylpentylideneamino]cyclopropane-1-carboxamide?
(1S)-2,2-diphenyl-N-[(Z)-1-phenylpentylideneamino]cyclopropane-1-carboxamide has a molecular weight of 396.53 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-diphenyl-N-[(Z)-1-phenylpentylideneamino]cyclopropane-1-carboxamide is sourced from PubChem (CID 7285249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).