cis-(1R,2S)-2-methyl-N-[3-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-3-oxopropyl]cyclopropane-1-carboxamide

C18H26N2O2 — CID 94618604

IUPACcis-(1R,2S)-2-methyl-N-[3-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-3-oxopropyl]cyclopropane-1-carboxamide
SMILESCc1ccccc1C[C@H](C)NC(=O)CCNC(=O)[C@@H]1C[C@@H]1C
InChIInChI=1S/C18H26N2O2/c1-12-6-4-5-7-15(12)11-14(3)20-17(21)8-9-19-18(22)16-10-13(16)2/h4-7,13-14,16H,8-11H2,1-3H3,(H,19,22)(H,20,21)/t13-,14-,16+/m0/s1
InChIKeyPSTRPMNAWBWISS-OFQRWUPVSA-N
MW302.42 g/mol
LogP2.20
Rot. Bonds7

About cis-(1R,2S)-2-methyl-N-[3-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-3-oxopropyl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-methyl-N-[3-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-3-oxopropyl]cyclopropane-1-carboxamide (PubChem CID 94618604) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is cis-(1R,2S)-2-methyl-N-[3-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-3-oxopropyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-methyl-N-[3-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-3-oxopropyl]cyclopropane-1-carboxamide
PubChem CID94618604
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Namecis-(1R,2S)-2-methyl-N-[3-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-3-oxopropyl]cyclopropane-1-carboxamide
SMILESCc1ccccc1C[C@H](C)NC(=O)CCNC(=O)[C@@H]1C[C@@H]1C
InChIInChI=1S/C18H26N2O2/c1-12-6-4-5-7-15(12)11-14(3)20-17(21)8-9-19-18(22)16-10-13(16)2/h4-7,13-14,16H,8-11H2,1-3H3,(H,19,22)(H,20,21)/t13-,14-,16+/m0/s1
InChIKeyPSTRPMNAWBWISS-OFQRWUPVSA-N
XLogP2.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1R,2S)-2-methyl-N-[3-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-3-oxopropyl]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-[3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 103944596
cis-(1S,2R)-2-methyl-N-[3-oxo-3-[[(1S)-1-pyridin-2-ylethyl]amino]propyl]cyclopropane-1-carboxamide
CID 51729582
2-(methylamino)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 60927229
2-(cyclopropylamino)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 54862344
cis-(1S,2R)-N-[(2R)-1-(2-fluorophenyl)propan-2-yl]-2-methylcyclopropane-1-carboxamide
CID 124831984
2-methyl-N-[1-(2-methylphenyl)propan-2-yl]piperidine-4-carboxamide
CID 106739216
N-[3-[[(4-chlorophenyl)-phenylmethyl]amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 55651655
trans-(1R,2R)-2-methyl-N-[3-[[1-(2-methylphenyl)cyclopropyl]methylamino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 95281523
3-(2-methoxyethoxy)-N-[(2R)-1-(2-methylphenyl)propan-2-yl]propanamide
CID 94799911
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803
2-methoxy-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 47062728
trans-(1S,2S)-N-[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94164156

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-methyl-N-[3-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-3-oxopropyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-methyl-N-[3-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-3-oxopropyl]cyclopropane-1-carboxamide (CID 94618604) is cis-(1R,2S)-2-methyl-N-[3-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-3-oxopropyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-methyl-N-[3-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-3-oxopropyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-methyl-N-[3-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-3-oxopropyl]cyclopropane-1-carboxamide is Cc1ccccc1C[C@H](C)NC(=O)CCNC(=O)[C@@H]1C[C@@H]1C.
What is the InChIKey of cis-(1R,2S)-2-methyl-N-[3-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-3-oxopropyl]cyclopropane-1-carboxamide?
The InChIKey is PSTRPMNAWBWISS-OFQRWUPVSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12-6-4-5-7-15(12)11-14(3)20-17(21)8-9-19-18(22)16-10-13(16)2/h4-7,13-14,16H,8-11H2,1-3H3,(H,19,22)(H,20,21)/t13-,14-,16+/m0/s1.
What are the key properties of cis-(1R,2S)-2-methyl-N-[3-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-3-oxopropyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-methyl-N-[3-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-3-oxopropyl]cyclopropane-1-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-methyl-N-[3-[[(2S)-1-(2-methylphenyl)propan-2-yl]amino]-3-oxopropyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 94618604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).