N-(2,5-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide

C24H23NO — CID 2844054

IUPACN-(2,5-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CC2(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H23NO/c1-17-13-14-18(2)22(15-17)25-23(26)21-16-24(21,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,21H,16H2,1-2H3,(H,25,26)
InChIKeyBTXCKOBJSIDBNO-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.25
Rot. Bonds4

About N-(2,5-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide

N-(2,5-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide (PubChem CID 2844054) has the molecular formula C24H23NO and a molecular weight of 341.45 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide
PubChem CID2844054
Molecular FormulaC24H23NO
Molecular Weight341.45 g/mol
Exact Mass341.18
IUPAC NameN-(2,5-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CC2(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H23NO/c1-17-13-14-18(2)22(15-17)25-23(26)21-16-24(21,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,21H,16H2,1-2H3,(H,25,26)
InChIKeyBTXCKOBJSIDBNO-UHFFFAOYSA-N
XLogP5.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-(2,4-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 1381012
N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 11835636
(1S)-N-(2-fluorophenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
CID 1238496
N-(2-fluorophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 2895062
N-(2,5-dimethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112520843
(1R)-2,2-bis(3-methylphenyl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
CID 7033256
(1S)-N-(3-chloro-2-methylphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 7034112
(1R)-N-[1-(4-methylphenyl)butylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 129438757
N-(2-ethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 3101393
(1S)-N-(2-nitrophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7070939
N-naphthalen-2-yl-2,2-diphenylcyclopropane-1-carboxamide
CID 3098363
3-[(2,2-dimethylcyclopropanecarbonyl)amino]-4-methylbenzoic acid
CID 106703341

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide (CID 2844054) is N-(2,5-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide is Cc1ccc(C)c(NC(=O)C2CC2(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide?
The InChIKey is BTXCKOBJSIDBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO/c1-17-13-14-18(2)22(15-17)25-23(26)21-16-24(21,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-15,21H,16H2,1-2H3,(H,25,26).
What are the key properties of N-(2,5-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide?
N-(2,5-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide is sourced from PubChem (CID 2844054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).