trans-(1R,2R)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]cyclopropane-1-carboxamide

C19H21NO — CID 124738701

IUPACtrans-(1R,2R)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]cyclopropane-1-carboxamide
SMILESCc1ccc([C@H](NC(=O)[C@@H]2C[C@H]2C)c2ccccc2)cc1
InChIInChI=1S/C19H21NO/c1-13-8-10-16(11-9-13)18(15-6-4-3-5-7-15)20-19(21)17-12-14(17)2/h3-11,14,17-18H,12H2,1-2H3,(H,20,21)/t14-,17-,18-/m1/s1
InChIKeyRNPPWNQPHOBLCG-ZTFGCOKTSA-N
MW279.38 g/mol
LogP3.86
Rot. Bonds4

About trans-(1R,2R)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]cyclopropane-1-carboxamide (PubChem CID 124738701) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]cyclopropane-1-carboxamide
PubChem CID124738701
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Nametrans-(1R,2R)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]cyclopropane-1-carboxamide
SMILESCc1ccc([C@H](NC(=O)[C@@H]2C[C@H]2C)c2ccccc2)cc1
InChIInChI=1S/C19H21NO/c1-13-8-10-16(11-9-13)18(15-6-4-3-5-7-15)20-19(21)17-12-14(17)2/h3-11,14,17-18H,12H2,1-2H3,(H,20,21)/t14-,17-,18-/m1/s1
InChIKeyRNPPWNQPHOBLCG-ZTFGCOKTSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-N-benzhydryl-2-methylcyclopropane-1-carboxamide
CID 2547181
(1R,6R)-6-(benzhydrylcarbamoyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 1139576
N-[(S)-(4-methylphenyl)-phenylmethyl]cyclopentanecarboxamide
CID 8798133
N-[(4-methylphenyl)-phenylmethyl]oxane-4-carboxamide
CID 51189650
2-[[(4-chlorophenyl)-phenylmethyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975095
(1R,6R)-6-[[(R)-(4-methoxyphenyl)-phenylmethyl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 124714365
(1S,6R)-6-[[(R)-(4-methoxyphenyl)-phenylmethyl]carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 27000371
2-ethyl-N-[phenyl-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxamide
CID 171097114
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
N-[3-[[(4-chlorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55651655
methyl 3-[(2-methylcyclopropanecarbonyl)amino]-3-(4-methylphenyl)propanoate
CID 42920466
methyl (3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]-3-(4-methylphenyl)propanoate
CID 124822180

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]cyclopropane-1-carboxamide (CID 124738701) is trans-(1R,2R)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]cyclopropane-1-carboxamide is Cc1ccc([C@H](NC(=O)[C@@H]2C[C@H]2C)c2ccccc2)cc1.
What is the InChIKey of trans-(1R,2R)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]cyclopropane-1-carboxamide?
The InChIKey is RNPPWNQPHOBLCG-ZTFGCOKTSA-N. The full InChI is InChI=1S/C19H21NO/c1-13-8-10-16(11-9-13)18(15-6-4-3-5-7-15)20-19(21)17-12-14(17)2/h3-11,14,17-18H,12H2,1-2H3,(H,20,21)/t14-,17-,18-/m1/s1.
What are the key properties of trans-(1R,2R)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]cyclopropane-1-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methyl-N-[(R)-(4-methylphenyl)-phenylmethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 124738701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).