trans-(1R,2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide

C20H23NO — CID 124719319

IUPACtrans-(1R,2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(C)c([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1
InChIInChI=1S/C20H23NO/c1-13-9-10-14(2)17(11-13)15(3)21-20(22)19-12-18(19)16-7-5-4-6-8-16/h4-11,15,18-19H,12H2,1-3H3,(H,21,22)/t15-,18-,19+/m0/s1
InChIKeyGYTNLZUCWVWLQY-ZYSHUDEJSA-N
MW293.41 g/mol
LogP4.28
Rot. Bonds4

About trans-(1R,2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 124719319) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is trans-(1R,2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID124719319
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Nametrans-(1R,2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(C)c([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1
InChIInChI=1S/C20H23NO/c1-13-9-10-14(2)17(11-13)15(3)21-20(22)19-12-18(19)16-7-5-4-6-8-16/h4-11,15,18-19H,12H2,1-3H3,(H,21,22)/t15-,18-,19+/m0/s1
InChIKeyGYTNLZUCWVWLQY-ZYSHUDEJSA-N
XLogP4.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(2,5-dimethylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54868401
trans-(1S,2S)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 11922406
N-[1-(2,5-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 6469818
cis-(1S,2R)-2-[[(1R)-1-(2,5-dimethylphenyl)ethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 11922211
trans-(1S,2S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 72947289
N-[1-(5-methyl-2-pyridinyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 78034984
cis-(1R,2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 11922138
(2S,3S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 93239792
N-(4-bromobutan-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 83180682
N-(2-amino-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 115912203
N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 3346016
2-phenyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 56725051

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide (CID 124719319) is trans-(1R,2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide is Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccccc2)c1.
What is the InChIKey of trans-(1R,2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is GYTNLZUCWVWLQY-ZYSHUDEJSA-N. The full InChI is InChI=1S/C20H23NO/c1-13-9-10-14(2)17(11-13)15(3)21-20(22)19-12-18(19)16-7-5-4-6-8-16/h4-11,15,18-19H,12H2,1-3H3,(H,21,22)/t15-,18-,19+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 124719319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).