N-[4-(heptylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C25H31N3O3 — CID 17153813

IUPACN-[4-(heptylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCCCCCCCNC(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C25H31N3O3/c1-2-3-4-5-9-16-26-24(30)19-12-14-21(15-13-19)27-25(31)20-17-23(29)28(18-20)22-10-7-6-8-11-22/h6-8,10-15,20H,2-5,9,16-18H2,1H3,(H,26,30)(H,27,31)
InChIKeyUSNGYIVOUPSRAF-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.38
Rot. Bonds10

About N-[4-(heptylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[4-(heptylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 17153813) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[4-(heptylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(heptylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID17153813
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-[4-(heptylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCCCCCCCNC(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C25H31N3O3/c1-2-3-4-5-9-16-26-24(30)19-12-14-21(15-13-19)27-25(31)20-17-23(29)28(18-20)22-10-7-6-8-11-22/h6-8,10-15,20H,2-5,9,16-18H2,1H3,(H,26,30)(H,27,31)
InChIKeyUSNGYIVOUPSRAF-UHFFFAOYSA-N
XLogP4.38
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
5-oxo-1-phenyl-N-[4-(phenylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17153747
N-[4-(dipropylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153801
N-[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153972
N-[4-(benzhydrylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153792
1-(4-chlorophenyl)-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108787235
N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269
5-oxo-1-phenyl-N-[4-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 17153892
1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
CID 108793622
N-[4-[(2-bromophenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153911
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153822
propan-2-yl 4-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 40605759

Frequently Asked Questions

What is the IUPAC name of N-[4-(heptylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[4-(heptylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 17153813) is N-[4-(heptylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[4-(heptylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[4-(heptylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is CCCCCCCNC(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccccc3)C2)cc1.
What is the InChIKey of N-[4-(heptylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is USNGYIVOUPSRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-2-3-4-5-9-16-26-24(30)19-12-14-21(15-13-19)27-25(31)20-17-23(29)28(18-20)22-10-7-6-8-11-22/h6-8,10-15,20H,2-5,9,16-18H2,1H3,(H,26,30)(H,27,31).
What are the key properties of N-[4-(heptylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[4-(heptylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 4.38, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(heptylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 17153813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).