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

C20H29N3O4 — CID 17153589

IUPAC1-butyl-N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)Nc2ccc(C(=O)NC(C)COC)cc2)CC1=O
InChIInChI=1S/C20H29N3O4/c1-4-5-10-23-12-16(11-18(23)24)20(26)22-17-8-6-15(7-9-17)19(25)21-14(2)13-27-3/h6-9,14,16H,4-5,10-13H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyWZLHWIYFSXTNBP-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.04
Rot. Bonds9

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

1-butyl-N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 17153589) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-butyl-N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID17153589
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name1-butyl-N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)Nc2ccc(C(=O)NC(C)COC)cc2)CC1=O
InChIInChI=1S/C20H29N3O4/c1-4-5-10-23-12-16(11-18(23)24)20(26)22-17-8-6-15(7-9-17)19(25)21-14(2)13-27-3/h6-9,14,16H,4-5,10-13H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyWZLHWIYFSXTNBP-UHFFFAOYSA-N
XLogP2.04
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-butyl-N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

N-[4-(butan-2-ylcarbamoyl)phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17153541
(3S)-1-butyl-N-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9399021
methyl 4-[[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]amino]benzoate
CID 17153521
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
N-(4-acetylphenyl)-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182588
(3S)-1-butyl-5-oxo-N-[4-(pyridin-4-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 41457449
1-butyl-N-[4-(3-ethoxypropylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153630
1-butyl-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153547
N-[4-[(4-benzamido-2,5-dimethoxyphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17153604
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

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-butyl-N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 17153589) is 1-butyl-N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is CCCCN1CC(C(=O)Nc2ccc(C(=O)NC(C)COC)cc2)CC1=O.
What is the InChIKey of 1-butyl-N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WZLHWIYFSXTNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-4-5-10-23-12-16(11-18(23)24)20(26)22-17-8-6-15(7-9-17)19(25)21-14(2)13-27-3/h6-9,14,16H,4-5,10-13H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of 1-butyl-N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-butyl-N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17153589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).