N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide

C20H27N3O3 — CID 113185550

IUPACN-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CC(=O)N(C3CCCCCC3)C2)cc1
InChIInChI=1S/C20H27N3O3/c1-14(24)21-16-8-10-17(11-9-16)22-20(26)15-12-19(25)23(13-15)18-6-4-2-3-5-7-18/h8-11,15,18H,2-7,12-13H2,1H3,(H,21,24)(H,22,26)
InChIKeyARTRPVOWHZBRTN-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.15
Rot. Bonds4

About N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide

N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 113185550) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
PubChem CID113185550
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)C2CC(=O)N(C3CCCCCC3)C2)cc1
InChIInChI=1S/C20H27N3O3/c1-14(24)21-16-8-10-17(11-9-16)22-20(26)15-12-19(25)23(13-15)18-6-4-2-3-5-7-18/h8-11,15,18H,2-7,12-13H2,1H3,(H,21,24)(H,22,26)
InChIKeyARTRPVOWHZBRTN-UHFFFAOYSA-N
XLogP3.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(4-acetylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 802193
(3R)-1-cyclohexyl-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40596002
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
methyl 4-[[(3S)-1-cyclohexyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 40636618
1-cyclohexyl-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 110423369
(3R)-1-cyclopentyl-5-oxo-N-(4-phenylphenyl)pyrrolidine-3-carboxamide
CID 8571471
N-(4-tert-butylphenyl)-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687552
(3R)-1-cyclohexyl-N-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1084043
N-(5-acetamido-2-chlorophenyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 55916981
1-cycloheptyl-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 113185562
1-cyclopentyl-N-[4-(difluoromethylsulfanyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 17396732
(3R)-1-cyclohexyl-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 675322

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide (CID 113185550) is N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)C2CC(=O)N(C3CCCCCC3)C2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ARTRPVOWHZBRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14(24)21-16-8-10-17(11-9-16)22-20(26)15-12-19(25)23(13-15)18-6-4-2-3-5-7-18/h8-11,15,18H,2-7,12-13H2,1H3,(H,21,24)(H,22,26).
What are the key properties of N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide?
N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113185550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).