trans-(1R,2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide

C21H24N2O2 — CID 97215638

IUPACtrans-(1R,2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
SMILESCCNC(=O)Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)cc1
InChIInChI=1S/C21H24N2O2/c1-3-22-20(24)12-15-8-10-16(11-9-15)23-21(25)19-13-18(19)17-7-5-4-6-14(17)2/h4-11,18-19H,3,12-13H2,1-2H3,(H,22,24)(H,23,25)/t18-,19+/m0/s1
InChIKeyOWSGVWSUFGOTPH-RBUKOAKNSA-N
MW336.44 g/mol
LogP3.42
Rot. Bonds6

About trans-(1R,2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 97215638) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is trans-(1R,2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
PubChem CID97215638
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Nametrans-(1R,2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
SMILESCCNC(=O)Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)cc1
InChIInChI=1S/C21H24N2O2/c1-3-22-20(24)12-15-8-10-16(11-9-15)23-21(25)19-13-18(19)17-7-5-4-6-14(17)2/h4-11,18-19H,3,12-13H2,1-2H3,(H,22,24)(H,23,25)/t18-,19+/m0/s1
InChIKeyOWSGVWSUFGOTPH-RBUKOAKNSA-N
XLogP3.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-2-(2-methylphenyl)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

N-[2-(methylamino)ethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119503238
5-[[(1S,2S)-2-(2-methylphenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 99849422
N-(2-aminoethyl)-2-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]benzamide
CID 120603302
N-(2-amino-2-ethylbutyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119642864
3-[[2-(2-methylphenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119221223
N-(5-amino-2-methylphenyl)-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 120569043
4-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-N,N-diethylbenzamide
CID 51295036
cis-(1S,2R)-2-(2,4-difluorophenyl)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide
CID 95979961
(2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 103795041
ethyl N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]carbamate
CID 60747824
N-ethyl-2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]acetamide
CID 115950017
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 111450735

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide (CID 97215638) is trans-(1R,2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide is CCNC(=O)Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2C)cc1.
What is the InChIKey of trans-(1R,2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is OWSGVWSUFGOTPH-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-3-22-20(24)12-15-8-10-16(11-9-15)23-21(25)19-13-18(19)17-7-5-4-6-14(17)2/h4-11,18-19H,3,12-13H2,1-2H3,(H,22,24)(H,23,25)/t18-,19+/m0/s1.
What are the key properties of trans-(1R,2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97215638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).