N-benzyl-N-(2-hydroxybutyl)-2-methylpyrrolidine-2-carboxamide

C17H26N2O2 — CID 110012200

IUPACN-benzyl-N-(2-hydroxybutyl)-2-methylpyrrolidine-2-carboxamide
SMILESCCC(O)CN(Cc1ccccc1)C(=O)C1(C)CCCN1
InChIInChI=1S/C17H26N2O2/c1-3-15(20)13-19(12-14-8-5-4-6-9-14)16(21)17(2)10-7-11-18-17/h4-6,8-9,15,18,20H,3,7,10-13H2,1-2H3
InChIKeyVBMOUYAKUKKHEF-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.93
Rot. Bonds6

About N-benzyl-N-(2-hydroxybutyl)-2-methylpyrrolidine-2-carboxamide

N-benzyl-N-(2-hydroxybutyl)-2-methylpyrrolidine-2-carboxamide (PubChem CID 110012200) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxybutyl)-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-hydroxybutyl)-2-methylpyrrolidine-2-carboxamide
PubChem CID110012200
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-benzyl-N-(2-hydroxybutyl)-2-methylpyrrolidine-2-carboxamide
SMILESCCC(O)CN(Cc1ccccc1)C(=O)C1(C)CCCN1
InChIInChI=1S/C17H26N2O2/c1-3-15(20)13-19(12-14-8-5-4-6-9-14)16(21)17(2)10-7-11-18-17/h4-6,8-9,15,18,20H,3,7,10-13H2,1-2H3
InChIKeyVBMOUYAKUKKHEF-UHFFFAOYSA-N
XLogP1.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-benzyl-N-(2-hydroxybutyl)-2-methylpyrrolidine-2-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-ethyl-2-methyl-N-(2-methylbutyl)piperidine-2-carboxamide
CID 113368651
N-benzyl-3-methyl-N-propylpiperidine-3-carboxamide
CID 63130370
N-benzyl-2-ethyl-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 83063903
N-(2,2-difluoroethyl)-N,2-dimethylpyrrolidine-2-carboxamide
CID 115747592
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyrrolidine-2-carboxamide
CID 107863123
2-[ethyl-(2-methylpiperidine-2-carbonyl)amino]acetic acid
CID 104596700
N-benzyl-N-ethyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708224
benzyl N-[(2S)-2-methylpyrrolidine-2-carbonyl]carbamate
CID 141351326
2-[2-[methyl-(2-methylpyrrolidine-2-carbonyl)amino]ethyl]benzoic acid
CID 104548275
2-(3-hydroxyphenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580394
(2S)-3-[benzyl(propanoyl)amino]-2-methylpropanoic acid
CID 95537487
(4-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580446

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-hydroxybutyl)-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-benzyl-N-(2-hydroxybutyl)-2-methylpyrrolidine-2-carboxamide (CID 110012200) is N-benzyl-N-(2-hydroxybutyl)-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-hydroxybutyl)-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-benzyl-N-(2-hydroxybutyl)-2-methylpyrrolidine-2-carboxamide is CCC(O)CN(Cc1ccccc1)C(=O)C1(C)CCCN1.
What is the InChIKey of N-benzyl-N-(2-hydroxybutyl)-2-methylpyrrolidine-2-carboxamide?
The InChIKey is VBMOUYAKUKKHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-15(20)13-19(12-14-8-5-4-6-9-14)16(21)17(2)10-7-11-18-17/h4-6,8-9,15,18,20H,3,7,10-13H2,1-2H3.
What are the key properties of N-benzyl-N-(2-hydroxybutyl)-2-methylpyrrolidine-2-carboxamide?
N-benzyl-N-(2-hydroxybutyl)-2-methylpyrrolidine-2-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-hydroxybutyl)-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110012200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).