N-[4-(butan-2-ylcarbamoyl)phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide

C20H29N3O3 — CID 17153541

IUPACN-[4-(butan-2-ylcarbamoyl)phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)Nc2ccc(C(=O)NC(C)CC)cc2)CC1=O
InChIInChI=1S/C20H29N3O3/c1-4-6-11-23-13-16(12-18(23)24)20(26)22-17-9-7-15(8-10-17)19(25)21-14(3)5-2/h7-10,14,16H,4-6,11-13H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyAICDPSLCVSDSEG-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.80
Rot. Bonds8

About N-[4-(butan-2-ylcarbamoyl)phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide

N-[4-(butan-2-ylcarbamoyl)phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 17153541) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[4-(butan-2-ylcarbamoyl)phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(butan-2-ylcarbamoyl)phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
PubChem CID17153541
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[4-(butan-2-ylcarbamoyl)phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)Nc2ccc(C(=O)NC(C)CC)cc2)CC1=O
InChIInChI=1S/C20H29N3O3/c1-4-6-11-23-13-16(12-18(23)24)20(26)22-17-9-7-15(8-10-17)19(25)21-14(3)5-2/h7-10,14,16H,4-6,11-13H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyAICDPSLCVSDSEG-UHFFFAOYSA-N
XLogP2.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153589
N-[4-[(4-butan-2-ylphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17153451
(3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398255
methyl 4-[[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]amino]benzoate
CID 17153521
(3S)-1-butyl-5-oxo-N-[4-(pyridin-4-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 41457449
(3S)-N-[(2R)-butan-2-yl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398572
1-butyl-5-oxo-N-[4-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 17018945
1-butyl-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153547
5-oxo-1-pentyl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113185719
(3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398060
N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17082489
(3S)-1-butyl-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 27195496

Frequently Asked Questions

What is the IUPAC name of N-[4-(butan-2-ylcarbamoyl)phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(butan-2-ylcarbamoyl)phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide (CID 17153541) is N-[4-(butan-2-ylcarbamoyl)phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(butan-2-ylcarbamoyl)phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(butan-2-ylcarbamoyl)phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide is CCCCN1CC(C(=O)Nc2ccc(C(=O)NC(C)CC)cc2)CC1=O.
What is the InChIKey of N-[4-(butan-2-ylcarbamoyl)phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AICDPSLCVSDSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-4-6-11-23-13-16(12-18(23)24)20(26)22-17-9-7-15(8-10-17)19(25)21-14(3)5-2/h7-10,14,16H,4-6,11-13H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of N-[4-(butan-2-ylcarbamoyl)phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide?
N-[4-(butan-2-ylcarbamoyl)phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butan-2-ylcarbamoyl)phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17153541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).