(1S)-2,2-bis(3-methylphenyl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide

C27H29NO — CID 7033255

IUPAC(1S)-2,2-bis(3-methylphenyl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
SMILESCc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C27H29NO/c1-17-8-6-10-22(14-17)27(23-11-7-9-18(2)15-23)16-24(27)26(29)28-25-20(4)12-19(3)13-21(25)5/h6-15,24H,16H2,1-5H3,(H,28,29)/t24-/m1/s1
InChIKeyOEUOSTAKBLJKCF-XMMPIXPASA-N
MW383.54 g/mol
LogP6.17
Rot. Bonds4

About (1S)-2,2-bis(3-methylphenyl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide

(1S)-2,2-bis(3-methylphenyl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide (PubChem CID 7033255) has the molecular formula C27H29NO and a molecular weight of 383.54 g/mol. Its IUPAC name is (1S)-2,2-bis(3-methylphenyl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-bis(3-methylphenyl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
PubChem CID7033255
Molecular FormulaC27H29NO
Molecular Weight383.54 g/mol
Exact Mass383.22
IUPAC Name(1S)-2,2-bis(3-methylphenyl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
SMILESCc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C27H29NO/c1-17-8-6-10-22(14-17)27(23-11-7-9-18(2)15-23)16-24(27)26(29)28-25-20(4)12-19(3)13-21(25)5/h6-15,24H,16H2,1-5H3,(H,28,29)/t24-/m1/s1
InChIKeyOEUOSTAKBLJKCF-XMMPIXPASA-N
XLogP6.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-2,2-bis(3-methylphenyl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
CID 7033256
(1S)-N-(3-chlorophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 7033241
N-(2-fluorophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 2895062
(1S)-N-(3-chloro-2-methylphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 7034112
(1R)-N-(2,4-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 1381012
(1R)-N-(4-ethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 1040817
(1S)-N-(2,5-dimethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 1042371
N-(2-ethoxyphenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 3101393
N-(2,5-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 2844054
(1R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 135571945
(1S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 2267275
N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 11835636

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-bis(3-methylphenyl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-bis(3-methylphenyl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide (CID 7033255) is (1S)-2,2-bis(3-methylphenyl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-bis(3-methylphenyl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-bis(3-methylphenyl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide is Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2c(C)cc(C)cc2C)c1.
What is the InChIKey of (1S)-2,2-bis(3-methylphenyl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide?
The InChIKey is OEUOSTAKBLJKCF-XMMPIXPASA-N. The full InChI is InChI=1S/C27H29NO/c1-17-8-6-10-22(14-17)27(23-11-7-9-18(2)15-23)16-24(27)26(29)28-25-20(4)12-19(3)13-21(25)5/h6-15,24H,16H2,1-5H3,(H,28,29)/t24-/m1/s1.
What are the key properties of (1S)-2,2-bis(3-methylphenyl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide?
(1S)-2,2-bis(3-methylphenyl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 6.17, 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(3-methylphenyl)-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 7033255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).