N-(4,4-dimethylpentyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

C18H26N2O2 — CID 110421652

IUPACN-(4,4-dimethylpentyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCC(C)(C)CCCNC(=O)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H26N2O2/c1-18(2,3)10-7-11-19-17(22)14-12-16(21)20(13-14)15-8-5-4-6-9-15/h4-6,8-9,14H,7,10-13H2,1-3H3,(H,19,22)
InChIKeyJWTTZJCENUJREM-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.98
Rot. Bonds5

About N-(4,4-dimethylpentyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-(4,4-dimethylpentyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 110421652) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(4,4-dimethylpentyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethylpentyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID110421652
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-(4,4-dimethylpentyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCC(C)(C)CCCNC(=O)C1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C18H26N2O2/c1-18(2,3)10-7-11-19-17(22)14-12-16(21)20(13-14)15-8-5-4-6-9-15/h4-6,8-9,14H,7,10-13H2,1-3H3,(H,19,22)
InChIKeyJWTTZJCENUJREM-UHFFFAOYSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4,4-dimethylpentyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hexyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080521
1-(3,4-dimethoxyphenyl)-N-(4,4-dimethylpentyl)-5-oxopyrrolidine-3-carboxamide
CID 110421719
(3R)-N-[2,2-dimethyl-3-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]propyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40736715
(3S)-N-(2-acetamidoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94094414
(3R)-5-oxo-1-phenyl-N-(4-phenylbutyl)pyrrolidine-3-carboxamide
CID 7033209
N-(2-aminoethyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 90489047
N-[4-(4-methylphenyl)butyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110627914
(3R)-N-[(2R)-2-hydroxypropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7034624
ethyl 2-oxo-2-[2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]ethylamino]acetate
CID 29136225
N-[2-(methanesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42651861
2-[[(3S)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]acetic acid
CID 42569448
N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 44962602

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpentyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4,4-dimethylpentyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 110421652) is N-(4,4-dimethylpentyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4,4-dimethylpentyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4,4-dimethylpentyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is CC(C)(C)CCCNC(=O)C1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of N-(4,4-dimethylpentyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is JWTTZJCENUJREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-18(2,3)10-7-11-19-17(22)14-12-16(21)20(13-14)15-8-5-4-6-9-15/h4-6,8-9,14H,7,10-13H2,1-3H3,(H,19,22).
What are the key properties of N-(4,4-dimethylpentyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-(4,4-dimethylpentyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpentyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110421652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).