N-[5-[(2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carbonyl]-2-methylphenyl]benzamide

C22H26N2O3 — CID 97240619

IUPACN-[5-[(2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carbonyl]-2-methylphenyl]benzamide
SMILESCc1ccc(C(=O)N2CCC[C@@H]2C[C@@H](C)O)cc1NC(=O)c1ccccc1
InChIInChI=1S/C22H26N2O3/c1-15-10-11-18(22(27)24-12-6-9-19(24)13-16(2)25)14-20(15)23-21(26)17-7-4-3-5-8-17/h3-5,7-8,10-11,14,16,19,25H,6,9,12-13H2,1-2H3,(H,23,26)/t16-,19-/m1/s1
InChIKeyFNAROCKPGXFBPE-VQIMIIECSA-N
MW366.46 g/mol
LogP3.62
Rot. Bonds5

About N-[5-[(2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carbonyl]-2-methylphenyl]benzamide

N-[5-[(2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carbonyl]-2-methylphenyl]benzamide (PubChem CID 97240619) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[5-[(2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carbonyl]-2-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[5-[(2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carbonyl]-2-methylphenyl]benzamide
PubChem CID97240619
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[5-[(2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carbonyl]-2-methylphenyl]benzamide
SMILESCc1ccc(C(=O)N2CCC[C@@H]2C[C@@H](C)O)cc1NC(=O)c1ccccc1
InChIInChI=1S/C22H26N2O3/c1-15-10-11-18(22(27)24-12-6-9-19(24)13-16(2)25)14-20(15)23-21(26)17-7-4-3-5-8-17/h3-5,7-8,10-11,14,16,19,25H,6,9,12-13H2,1-2H3,(H,23,26)/t16-,19-/m1/s1
InChIKeyFNAROCKPGXFBPE-VQIMIIECSA-N
XLogP3.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-[(2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carbonyl]-2-methylphenyl]benzamide 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

[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 79549123
1,3-dihydro-2-benzofuran-5-yl-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79546805
(2R)-N-(5-bromo-2-methylphenyl)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxamide
CID 97070958
N-[2-methyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]phenyl]benzamide
CID 55630713
4-(3-benzamido-4-methylbenzoyl)morpholine-3-carboxylic acid
CID 119216217
(4-fluoro-3-methylphenyl)-[2-(2-hydroxypropyl)azepan-1-yl]methanone
CID 79539952
N-[2-methyl-5-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]benzamide
CID 112820366
4-(2-ethylpiperidine-1-carbonyl)-N-(2-methylphenyl)benzamide
CID 109048897
1-(3-benzamido-4-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119354954
3-(2-ethylpiperidine-1-carbonyl)-N-(2-methylphenyl)benzamide
CID 109056450
N-[2-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]phenyl]benzamide
CID 55723196
N-[2-methyl-5-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119402734

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carbonyl]-2-methylphenyl]benzamide?
The IUPAC name of N-[5-[(2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carbonyl]-2-methylphenyl]benzamide (CID 97240619) is N-[5-[(2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carbonyl]-2-methylphenyl]benzamide.
What is the SMILES notation for N-[5-[(2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carbonyl]-2-methylphenyl]benzamide?
The canonical SMILES for N-[5-[(2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carbonyl]-2-methylphenyl]benzamide is Cc1ccc(C(=O)N2CCC[C@@H]2C[C@@H](C)O)cc1NC(=O)c1ccccc1.
What is the InChIKey of N-[5-[(2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carbonyl]-2-methylphenyl]benzamide?
The InChIKey is FNAROCKPGXFBPE-VQIMIIECSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-10-11-18(22(27)24-12-6-9-19(24)13-16(2)25)14-20(15)23-21(26)17-7-4-3-5-8-17/h3-5,7-8,10-11,14,16,19,25H,6,9,12-13H2,1-2H3,(H,23,26)/t16-,19-/m1/s1.
What are the key properties of N-[5-[(2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carbonyl]-2-methylphenyl]benzamide?
N-[5-[(2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carbonyl]-2-methylphenyl]benzamide has a molecular weight of 366.46 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carbonyl]-2-methylphenyl]benzamide is sourced from PubChem (CID 97240619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).