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

C26H33N3O3 — CID 17153451

IUPACN-[4-[(4-butan-2-ylphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)Nc2ccc(C(=O)Nc3ccc(C(C)CC)cc3)cc2)CC1=O
InChIInChI=1S/C26H33N3O3/c1-4-6-15-29-17-21(16-24(29)30)26(32)28-23-13-9-20(10-14-23)25(31)27-22-11-7-19(8-12-22)18(3)5-2/h7-14,18,21H,4-6,15-17H2,1-3H3,(H,27,31)(H,28,32)
InChIKeySJDOCRVFNRNGJL-UHFFFAOYSA-N
MW435.57 g/mol
LogP5.04
Rot. Bonds9

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

N-[4-[(4-butan-2-ylphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 17153451) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[4-[(4-butan-2-ylphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-butan-2-ylphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
PubChem CID17153451
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC NameN-[4-[(4-butan-2-ylphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
SMILESCCCCN1CC(C(=O)Nc2ccc(C(=O)Nc3ccc(C(C)CC)cc3)cc2)CC1=O
InChIInChI=1S/C26H33N3O3/c1-4-6-15-29-17-21(16-24(29)30)26(32)28-23-13-9-20(10-14-23)25(31)27-22-11-7-19(8-12-22)18(3)5-2/h7-14,18,21H,4-6,15-17H2,1-3H3,(H,27,31)(H,28,32)
InChIKeySJDOCRVFNRNGJL-UHFFFAOYSA-N
XLogP5.04
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.57
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(butan-2-ylcarbamoyl)phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17153541
(3S)-1-butyl-5-oxo-N-[4-(pyridin-4-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 41457449
methyl 4-[[4-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoyl]amino]benzoate
CID 17153521
5-oxo-1-pentyl-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113185719
N-[4-[(3-acetamidophenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17153531
(3R)-N-(4-acetylphenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398255
1-butyl-N-[4-(1-methoxypropan-2-ylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153589
1-butyl-N-[4-[(3-fluorophenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153467
1-butyl-N-[4-(dimethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17153547
(3S)-N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398060
(3S)-1-butyl-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 27195496
N-(4-bromophenyl)-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 17082489

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-butan-2-ylphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[4-[(4-butan-2-ylphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide (CID 17153451) is N-[4-[(4-butan-2-ylphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-[(4-butan-2-ylphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-[(4-butan-2-ylphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide is CCCCN1CC(C(=O)Nc2ccc(C(=O)Nc3ccc(C(C)CC)cc3)cc2)CC1=O.
What is the InChIKey of N-[4-[(4-butan-2-ylphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is SJDOCRVFNRNGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-4-6-15-29-17-21(16-24(29)30)26(32)28-23-13-9-20(10-14-23)25(31)27-22-11-7-19(8-12-22)18(3)5-2/h7-14,18,21H,4-6,15-17H2,1-3H3,(H,27,31)(H,28,32).
What are the key properties of N-[4-[(4-butan-2-ylphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide?
N-[4-[(4-butan-2-ylphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 5.04, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-butan-2-ylphenyl)carbamoyl]phenyl]-1-butyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17153451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).