trans-(1S,2S)-N,N,2-trimethyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide

C19H21NO — CID 102346584

IUPACtrans-(1S,2S)-N,N,2-trimethyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide
SMILESCN(C)C(=O)[C@H]1C[C@]1(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21NO/c1-19(13-17(19)18(21)20(2)3)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,17H,13H2,1-3H3/t17-,19-/m1/s1
InChIKeyCRWZFYOEJZMNSL-IEBWSBKVSA-N
MW279.38 g/mol
LogP3.72
Rot. Bonds3

About trans-(1S,2S)-N,N,2-trimethyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide

trans-(1S,2S)-N,N,2-trimethyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide (PubChem CID 102346584) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is trans-(1S,2S)-N,N,2-trimethyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N,N,2-trimethyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide
PubChem CID102346584
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Nametrans-(1S,2S)-N,N,2-trimethyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide
SMILESCN(C)C(=O)[C@H]1C[C@]1(C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H21NO/c1-19(13-17(19)18(21)20(2)3)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,17H,13H2,1-3H3/t17-,19-/m1/s1
InChIKeyCRWZFYOEJZMNSL-IEBWSBKVSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze trans-(1S,2S)-N,N,2-trimethyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-(1S,2S)-N,N,2-trimethyl-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 102346585
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252590
cis-(1R,2S)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252591
2-methyl-2-(4-phenylphenyl)cyclopropane-1-carbonitrile
CID 116841830
trans-(1R,2R)-2-(methylaminomethyl)-1-(4-phenylphenyl)cyclopropane-1-carboxylic acid
CID 70981606
(2-hydroxy-3-methylphenyl)-[(1S,2R)-2-methyl-2-phenylcyclopropyl]methanone
CID 139114971
N-[(E)-1H-benzimidazol-4-ylmethylideneamino]-2-methyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide
CID 46186258
cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
2-fluoro-N-methoxy-N-methyl-2-phenylcyclopropane-1-carboxamide
CID 123258315
N-[(E)-1,3-benzothiazol-6-ylmethylideneamino]-2-methyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide
CID 46183745
1-(3-chloro-1-methylcyclopentyl)-4-phenylbenzene
CID 116540324
2-[2-methyl-2-(4-methylphenyl)cyclopropyl]acetic acid
CID 84672432

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N,N,2-trimethyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N,N,2-trimethyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide (CID 102346584) is trans-(1S,2S)-N,N,2-trimethyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N,N,2-trimethyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N,N,2-trimethyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide is CN(C)C(=O)[C@H]1C[C@]1(C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of trans-(1S,2S)-N,N,2-trimethyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide?
The InChIKey is CRWZFYOEJZMNSL-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H21NO/c1-19(13-17(19)18(21)20(2)3)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,17H,13H2,1-3H3/t17-,19-/m1/s1.
What are the key properties of trans-(1S,2S)-N,N,2-trimethyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N,N,2-trimethyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N,N,2-trimethyl-2-(4-phenylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 102346584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).