(2R)-1-butanoyl-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide

C19H28N2O2 — CID 94033051

IUPAC(2R)-1-butanoyl-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide
SMILESCCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCc1ccccc1
InChIInChI=1S/C19H28N2O2/c1-3-8-18(22)21-14-7-11-17(21)19(23)20-15(2)12-13-16-9-5-4-6-10-16/h4-6,9-10,15,17H,3,7-8,11-14H2,1-2H3,(H,20,23)/t15-,17+/m0/s1
InChIKeyWWUPMZJGWCQSNR-DOTOQJQBSA-N
MW316.44 g/mol
LogP2.91
Rot. Bonds7

About (2R)-1-butanoyl-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide

(2R)-1-butanoyl-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 94033051) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (2R)-1-butanoyl-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-butanoyl-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide
PubChem CID94033051
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(2R)-1-butanoyl-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide
SMILESCCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCc1ccccc1
InChIInChI=1S/C19H28N2O2/c1-3-8-18(22)21-14-7-11-17(21)19(23)20-15(2)12-13-16-9-5-4-6-10-16/h4-6,9-10,15,17H,3,7-8,11-14H2,1-2H3,(H,20,23)/t15-,17+/m0/s1
InChIKeyWWUPMZJGWCQSNR-DOTOQJQBSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(6-cyano-7-methyl-6-phenyloctanoyl)-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide
CID 70051243
1-methylsulfonyl-N-(4-phenylbutan-2-yl)pyrrolidine-2-carboxamide
CID 51240572
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007
3-[(1-butanoylpiperidine-2-carbonyl)amino]butanoic acid
CID 119221180
(2S)-1-[2-[[(2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 58153722
(2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide
CID 110286101
phenyl (2S)-2-[[(2S)-butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 41374824
1-butanoyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 42702695
N-[(2S)-4-phenylbutan-2-yl]cyclopropanecarboxamide
CID 844321
(2S)-2-N-[(2R)-butan-2-yl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1432975
N,N-dimethyl-1-(3-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxamide
CID 86866237
(2R)-2-[[(2S)-1-butanoylpiperidine-2-carbonyl]amino]pentanoic acid
CID 97338754

Frequently Asked Questions

What is the IUPAC name of (2R)-1-butanoyl-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-butanoyl-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide (CID 94033051) is (2R)-1-butanoyl-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-butanoyl-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-butanoyl-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide is CCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCc1ccccc1.
What is the InChIKey of (2R)-1-butanoyl-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is WWUPMZJGWCQSNR-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-3-8-18(22)21-14-7-11-17(21)19(23)20-15(2)12-13-16-9-5-4-6-10-16/h4-6,9-10,15,17H,3,7-8,11-14H2,1-2H3,(H,20,23)/t15-,17+/m0/s1.
What are the key properties of (2R)-1-butanoyl-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide?
(2R)-1-butanoyl-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 316.44 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-butanoyl-N-[(2S)-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 94033051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).