(2S)-1-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide

C18H25N3O2 — CID 95289187

IUPAC(2S)-1-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1CC(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C18H25N3O2/c1-19-18(23)16-8-5-11-20(16)13-17(22)21(15-9-10-15)12-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3,(H,19,23)/t16-/m0/s1
InChIKeyPCTHMIJJVHJVKN-INIZCTEOSA-N
MW315.42 g/mol
LogP1.39
Rot. Bonds6

About (2S)-1-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide

(2S)-1-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 95289187) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (2S)-1-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID95289187
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(2S)-1-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1CC(=O)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C18H25N3O2/c1-19-18(23)16-8-5-11-20(16)13-17(22)21(15-9-10-15)12-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3,(H,19,23)/t16-/m0/s1
InChIKeyPCTHMIJJVHJVKN-INIZCTEOSA-N
XLogP1.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(2-oxo-3-phenylpropyl)piperidine-2-carboxamide
CID 62036084
methyl 1-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 84584110
methyl (2R)-1-[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylate
CID 97317058
1-[2-(1,2-diphenylethylamino)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 60570248
1-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909049
1-[2-[cyclohexyl-[(4-fluorophenyl)methyl]amino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 55471178
N-methyl-1-[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]pyrrolidine-2-carboxamide
CID 86831653
1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
(2S)-1-[2-(N-methylanilino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 94588954
N-benzyl-2-(cyclopentylamino)-N-cyclopropylacetamide
CID 60846421
1-[(2-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978861
1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377078

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide (CID 95289187) is (2S)-1-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1CCCN1CC(=O)N(Cc1ccccc1)C1CC1.
What is the InChIKey of (2S)-1-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is PCTHMIJJVHJVKN-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-19-18(23)16-8-5-11-20(16)13-17(22)21(15-9-10-15)12-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3,(H,19,23)/t16-/m0/s1.
What are the key properties of (2S)-1-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide?
(2S)-1-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 95289187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).