(3R)-N-[2-(2-methylimidazol-1-yl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

C19H24N4O2 — CID 94423103

IUPAC(3R)-N-[2-(2-methylimidazol-1-yl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCc1nccn1CCNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C19H24N4O2/c1-15-20-8-11-22(15)12-9-21-19(25)17-13-18(24)23(14-17)10-7-16-5-3-2-4-6-16/h2-6,8,11,17H,7,9-10,12-14H2,1H3,(H,21,25)/t17-/m1/s1
InChIKeyNRRBKMOKVGLPRO-QGZVFWFLSA-N
MW340.43 g/mol
LogP1.40
Rot. Bonds7

About (3R)-N-[2-(2-methylimidazol-1-yl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

(3R)-N-[2-(2-methylimidazol-1-yl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 94423103) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (3R)-N-[2-(2-methylimidazol-1-yl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(2-methylimidazol-1-yl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID94423103
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(3R)-N-[2-(2-methylimidazol-1-yl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCc1nccn1CCNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C19H24N4O2/c1-15-20-8-11-22(15)12-9-21-19(25)17-13-18(24)23(14-17)10-7-16-5-3-2-4-6-16/h2-6,8,11,17H,7,9-10,12-14H2,1H3,(H,21,25)/t17-/m1/s1
InChIKeyNRRBKMOKVGLPRO-QGZVFWFLSA-N
XLogP1.40
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylimidazol-1-yl)-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 45225213
(3S)-5-oxo-1-(2-phenylethyl)-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 94115136
N-[3-(benzimidazol-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51273849
(3S)-N-[2-[ethyl(methyl)amino]ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 95130021
5-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51187065
(3R)-N-cyclopropyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51373179
N-[3-(4-methylpiperidin-1-yl)propyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 6624412
1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 113184516
(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51405841
5-oxo-N-pentyl-1-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 113185311
(3S)-N-[2-(2-ethylimidazol-1-yl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97269177
(3S)-N-[2-(3,4-diethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51405846

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(2-methylimidazol-1-yl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(2-methylimidazol-1-yl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 94423103) is (3R)-N-[2-(2-methylimidazol-1-yl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(2-methylimidazol-1-yl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(2-methylimidazol-1-yl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is Cc1nccn1CCNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of (3R)-N-[2-(2-methylimidazol-1-yl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is NRRBKMOKVGLPRO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15-20-8-11-22(15)12-9-21-19(25)17-13-18(24)23(14-17)10-7-16-5-3-2-4-6-16/h2-6,8,11,17H,7,9-10,12-14H2,1H3,(H,21,25)/t17-/m1/s1.
What are the key properties of (3R)-N-[2-(2-methylimidazol-1-yl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide?
(3R)-N-[2-(2-methylimidazol-1-yl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(2-methylimidazol-1-yl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 94423103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).