(1R)-N-(4-ethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide

C26H27NO2 — CID 1040817

IUPAC(1R)-N-(4-ethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@H]2CC2(c2cccc(C)c2)c2cccc(C)c2)cc1
InChIInChI=1S/C26H27NO2/c1-4-29-23-13-11-22(12-14-23)27-25(28)24-17-26(24,20-9-5-7-18(2)15-20)21-10-6-8-19(3)16-21/h5-16,24H,4,17H2,1-3H3,(H,27,28)/t24-/m0/s1
InChIKeyZZPBXNKUOHNESY-DEOSSOPVSA-N
MW385.51 g/mol
LogP5.65
Rot. Bonds6

About (1R)-N-(4-ethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide

(1R)-N-(4-ethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 1040817) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is (1R)-N-(4-ethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(4-ethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
PubChem CID1040817
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Name(1R)-N-(4-ethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
SMILESCCOc1ccc(NC(=O)[C@@H]2CC2(c2cccc(C)c2)c2cccc(C)c2)cc1
InChIInChI=1S/C26H27NO2/c1-4-29-23-13-11-22(12-14-23)27-25(28)24-17-26(24,20-9-5-7-18(2)15-20)21-10-6-8-19(3)16-21/h5-16,24H,4,17H2,1-3H3,(H,27,28)/t24-/m0/s1
InChIKeyZZPBXNKUOHNESY-DEOSSOPVSA-N
XLogP5.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 3101393
(1S)-N-(3-chlorophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 7033241
(1R)-2,2-bis(3-methylphenyl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
CID 7033256
(1S)-2,2-bis(3-methylphenyl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
CID 7033255
(1S)-N-(2,5-dimethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 1042371
N-(4-ethoxyphenyl)-N'-(3-methylphenyl)oxamide
CID 44996305
1-N-(4-ethoxyphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980780
4-N-(4-ethoxyphenyl)-1-N-[(3-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148110
(1S)-N-(4-methoxyphenyl)-2,2-bis(4-methylphenyl)cyclopropane-1-carboxamide
CID 2260163
N-(2-fluorophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 2895062
(2S)-1-N,2-N-bis(4-ethoxyphenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 21177970
2-N-(4-ethoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142430

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(4-ethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-(4-ethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide (CID 1040817) is (1R)-N-(4-ethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-(4-ethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-(4-ethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide is CCOc1ccc(NC(=O)[C@@H]2CC2(c2cccc(C)c2)c2cccc(C)c2)cc1.
What is the InChIKey of (1R)-N-(4-ethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is ZZPBXNKUOHNESY-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H27NO2/c1-4-29-23-13-11-22(12-14-23)27-25(28)24-17-26(24,20-9-5-7-18(2)15-20)21-10-6-8-19(3)16-21/h5-16,24H,4,17H2,1-3H3,(H,27,28)/t24-/m0/s1.
What are the key properties of (1R)-N-(4-ethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide?
(1R)-N-(4-ethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(4-ethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 1040817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).