1-butanoyl-N-phenylpyrrolidine-2-carboxamide

C15H20N2O2 — CID 47156007

IUPAC1-butanoyl-N-phenylpyrrolidine-2-carboxamide
SMILESCCCC(=O)N1CCCC1C(=O)Nc1ccccc1
InChIInChI=1S/C15H20N2O2/c1-2-7-14(18)17-11-6-10-13(17)15(19)16-12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3,(H,16,19)
InChIKeyISUYKNAVLYNBKA-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.42
Rot. Bonds4

About 1-butanoyl-N-phenylpyrrolidine-2-carboxamide

1-butanoyl-N-phenylpyrrolidine-2-carboxamide (PubChem CID 47156007) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-butanoyl-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-phenylpyrrolidine-2-carboxamide
PubChem CID47156007
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-butanoyl-N-phenylpyrrolidine-2-carboxamide
SMILESCCCC(=O)N1CCCC1C(=O)Nc1ccccc1
InChIInChI=1S/C15H20N2O2/c1-2-7-14(18)17-11-6-10-13(17)15(19)16-12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3,(H,16,19)
InChIKeyISUYKNAVLYNBKA-UHFFFAOYSA-N
XLogP2.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butanoyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 42702695
1-(3,3-dimethylbutanoyl)-N-phenylpyrrolidine-2-carboxamide
CID 134005373
5-[(1-butanoylpyrrolidine-2-carbonyl)amino]-2-methylbenzoic acid
CID 119255170
ethyl 3-[(1-butanoylpyrrolidine-2-carbonyl)amino]benzoate
CID 60528914
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
1-butanoyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 60546086
1-butanoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 60531568
1-butanoyl-N-isoquinolin-1-ylpyrrolidine-2-carboxamide
CID 126824073
2-[[3-[(1-butanoylpiperidine-2-carbonyl)amino]phenyl]methylsulfanyl]acetic acid
CID 119240743
N-phenyl-1-[2-[(2-phenylacetyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 119032269
(2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 92668243
(2R)-1-(2-phenylacetyl)-N-[4-[(E)-2-[4-[[(2R)-1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 53326825

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of 1-butanoyl-N-phenylpyrrolidine-2-carboxamide (CID 47156007) is 1-butanoyl-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-butanoyl-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-butanoyl-N-phenylpyrrolidine-2-carboxamide is CCCC(=O)N1CCCC1C(=O)Nc1ccccc1.
What is the InChIKey of 1-butanoyl-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is ISUYKNAVLYNBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-7-14(18)17-11-6-10-13(17)15(19)16-12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3,(H,16,19).
What are the key properties of 1-butanoyl-N-phenylpyrrolidine-2-carboxamide?
1-butanoyl-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 47156007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).