(1S)-N-(3-methoxyphenyl)-2,2-diphenylcyclopropane-1-carboxamide

C23H21NO2 — CID 780566

IUPAC(1S)-N-(3-methoxyphenyl)-2,2-diphenylcyclopropane-1-carboxamide
SMILESCOc1cccc(NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H21NO2/c1-26-20-14-8-13-19(15-20)24-22(25)21-16-23(21,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,21H,16H2,1H3,(H,24,25)/t21-/m1/s1
InChIKeyZQIRYZWGAOYFIG-OAQYLSRUSA-N
MW343.43 g/mol
LogP4.64
Rot. Bonds5

About (1S)-N-(3-methoxyphenyl)-2,2-diphenylcyclopropane-1-carboxamide

(1S)-N-(3-methoxyphenyl)-2,2-diphenylcyclopropane-1-carboxamide (PubChem CID 780566) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (1S)-N-(3-methoxyphenyl)-2,2-diphenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(3-methoxyphenyl)-2,2-diphenylcyclopropane-1-carboxamide
PubChem CID780566
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name(1S)-N-(3-methoxyphenyl)-2,2-diphenylcyclopropane-1-carboxamide
SMILESCOc1cccc(NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H21NO2/c1-26-20-14-8-13-19(15-20)24-22(25)21-16-23(21,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,21H,16H2,1H3,(H,24,25)/t21-/m1/s1
InChIKeyZQIRYZWGAOYFIG-OAQYLSRUSA-N
XLogP4.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-2-yl-2,2-diphenylcyclopropane-1-carboxamide
CID 3098363
(1R)-N-naphthalen-2-yl-2,2-diphenylcyclopropane-1-carboxamide
CID 7039734
(1R)-N-[(3-methoxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 1237555
1-(3-methoxyphenyl)-3-(1-phenylcyclopropyl)urea
CID 113215113
(1R)-N-(4-fluorophenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 7432800
2,2-dichloro-N-(3-methoxyphenyl)-3-phenylcyclopropane-1-carboxamide
CID 2832306
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676
(1S,2R,3S,4R)-2-N,3-N-bis(3-methoxyphenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 6967054
1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55034694
4-amino-N-(3-methoxyphenyl)cyclopent-2-ene-1-carboxamide
CID 79211392
(1S)-N-(2,5-dimethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 1042371
4-amino-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 60848992

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(3-methoxyphenyl)-2,2-diphenylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-(3-methoxyphenyl)-2,2-diphenylcyclopropane-1-carboxamide (CID 780566) is (1S)-N-(3-methoxyphenyl)-2,2-diphenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-(3-methoxyphenyl)-2,2-diphenylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-(3-methoxyphenyl)-2,2-diphenylcyclopropane-1-carboxamide is COc1cccc(NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (1S)-N-(3-methoxyphenyl)-2,2-diphenylcyclopropane-1-carboxamide?
The InChIKey is ZQIRYZWGAOYFIG-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H21NO2/c1-26-20-14-8-13-19(15-20)24-22(25)21-16-23(21,17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,21H,16H2,1H3,(H,24,25)/t21-/m1/s1.
What are the key properties of (1S)-N-(3-methoxyphenyl)-2,2-diphenylcyclopropane-1-carboxamide?
(1S)-N-(3-methoxyphenyl)-2,2-diphenylcyclopropane-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(3-methoxyphenyl)-2,2-diphenylcyclopropane-1-carboxamide is sourced from PubChem (CID 780566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).