(1S)-N-(2,5-dimethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide

C26H27NO3 — CID 1042371

IUPAC(1S)-N-(2,5-dimethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)[C@H]2CC2(c2cccc(C)c2)c2cccc(C)c2)c1
InChIInChI=1S/C26H27NO3/c1-17-7-5-9-19(13-17)26(20-10-6-8-18(2)14-20)16-22(26)25(28)27-23-15-21(29-3)11-12-24(23)30-4/h5-15,22H,16H2,1-4H3,(H,27,28)/t22-/m1/s1
InChIKeyLSIBCNNOKQTVSD-JOCHJYFZSA-N
MW401.51 g/mol
LogP5.27
Rot. Bonds6

About (1S)-N-(2,5-dimethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide

(1S)-N-(2,5-dimethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 1042371) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is (1S)-N-(2,5-dimethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(2,5-dimethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
PubChem CID1042371
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Name(1S)-N-(2,5-dimethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)[C@H]2CC2(c2cccc(C)c2)c2cccc(C)c2)c1
InChIInChI=1S/C26H27NO3/c1-17-7-5-9-19(13-17)26(20-10-6-8-18(2)14-20)16-22(26)25(28)27-23-15-21(29-3)11-12-24(23)30-4/h5-15,22H,16H2,1-4H3,(H,27,28)/t22-/m1/s1
InChIKeyLSIBCNNOKQTVSD-JOCHJYFZSA-N
XLogP5.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2,5-dimethoxyphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150438
N-(2-ethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 3101393
(1S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 2267275
2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 114997065
N-(2,5-dimethoxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112520928
1-N-(2,5-dimethoxyphenyl)-2-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143373
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320591
N-(2,5-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 2844054
N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 3503389
(2R)-N-(2,5-dimethoxyphenyl)-6-methyl-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 40804658
(2,6-dimethoxyphenyl) N-(2,5-dimethoxyphenyl)carbamate
CID 3325255

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2,5-dimethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-(2,5-dimethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide (CID 1042371) is (1S)-N-(2,5-dimethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-(2,5-dimethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-(2,5-dimethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide is COc1ccc(OC)c(NC(=O)[C@H]2CC2(c2cccc(C)c2)c2cccc(C)c2)c1.
What is the InChIKey of (1S)-N-(2,5-dimethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is LSIBCNNOKQTVSD-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H27NO3/c1-17-7-5-9-19(13-17)26(20-10-6-8-18(2)14-20)16-22(26)25(28)27-23-15-21(29-3)11-12-24(23)30-4/h5-15,22H,16H2,1-4H3,(H,27,28)/t22-/m1/s1.
What are the key properties of (1S)-N-(2,5-dimethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide?
(1S)-N-(2,5-dimethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2,5-dimethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 1042371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).