(1S)-2,2-bis(2-methylphenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide

C25H25NO — CID 1249311

IUPAC(1S)-2,2-bis(2-methylphenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CC2(c2ccccc2C)c2ccccc2C)cc1
InChIInChI=1S/C25H25NO/c1-17-12-14-20(15-13-17)26-24(27)23-16-25(23,21-10-6-4-8-18(21)2)22-11-7-5-9-19(22)3/h4-15,23H,16H2,1-3H3,(H,26,27)/t23-/m1/s1
InChIKeyBAWNHTVRPCGAOE-HSZRJFAPSA-N
MW355.48 g/mol
LogP5.56
Rot. Bonds4

About (1S)-2,2-bis(2-methylphenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide

(1S)-2,2-bis(2-methylphenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 1249311) has the molecular formula C25H25NO and a molecular weight of 355.48 g/mol. Its IUPAC name is (1S)-2,2-bis(2-methylphenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-bis(2-methylphenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
PubChem CID1249311
Molecular FormulaC25H25NO
Molecular Weight355.48 g/mol
Exact Mass355.19
IUPAC Name(1S)-2,2-bis(2-methylphenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CC2(c2ccccc2C)c2ccccc2C)cc1
InChIInChI=1S/C25H25NO/c1-17-12-14-20(15-13-17)26-24(27)23-16-25(23,21-10-6-4-8-18(21)2)22-11-7-5-9-19(22)3/h4-15,23H,16H2,1-3H3,(H,26,27)/t23-/m1/s1
InChIKeyBAWNHTVRPCGAOE-HSZRJFAPSA-N
XLogP5.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
CID 3777057
(1S)-N-(4-methoxyphenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
CID 2260163
N-(4-cyanophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
CID 2832320
(1R)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7432800
(1S)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7432802
(1S)-N-(2-fluorophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
CID 1238496
N-(2,5-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 2844054
(1R)-N-(2,4-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 1381012
2,2-diphenyl-N-(4-phenyldiazenylphenyl)cyclopropane-1-carboxamide
CID 6611307
(1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide
CID 7946169
(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 6932479
N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 142139322

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-bis(2-methylphenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-bis(2-methylphenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide (CID 1249311) is (1S)-2,2-bis(2-methylphenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-bis(2-methylphenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-bis(2-methylphenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide is Cc1ccc(NC(=O)[C@H]2CC2(c2ccccc2C)c2ccccc2C)cc1.
What is the InChIKey of (1S)-2,2-bis(2-methylphenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is BAWNHTVRPCGAOE-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H25NO/c1-17-12-14-20(15-13-17)26-24(27)23-16-25(23,21-10-6-4-8-18(21)2)22-11-7-5-9-19(22)3/h4-15,23H,16H2,1-3H3,(H,26,27)/t23-/m1/s1.
What are the key properties of (1S)-2,2-bis(2-methylphenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide?
(1S)-2,2-bis(2-methylphenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-bis(2-methylphenyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 1249311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).