N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(3-hydroxy-3-methylbutyl)benzamide

C18H26N2O3 — CID 95885487

IUPACN-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(3-hydroxy-3-methylbutyl)benzamide
SMILESCCN1C[C@H](NC(=O)c2cccc(CCC(C)(C)O)c2)CC1=O
InChIInChI=1S/C18H26N2O3/c1-4-20-12-15(11-16(20)21)19-17(22)14-7-5-6-13(10-14)8-9-18(2,3)23/h5-7,10,15,23H,4,8-9,11-12H2,1-3H3,(H,19,22)/t15-/m1/s1
InChIKeyPSJLXWUHUAEHEO-OAHLLOKOSA-N
MW318.42 g/mol
LogP1.74
Rot. Bonds6

About N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(3-hydroxy-3-methylbutyl)benzamide

N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(3-hydroxy-3-methylbutyl)benzamide (PubChem CID 95885487) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(3-hydroxy-3-methylbutyl)benzamide.

Molecular Properties

Compound NameN-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(3-hydroxy-3-methylbutyl)benzamide
PubChem CID95885487
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(3-hydroxy-3-methylbutyl)benzamide
SMILESCCN1C[C@H](NC(=O)c2cccc(CCC(C)(C)O)c2)CC1=O
InChIInChI=1S/C18H26N2O3/c1-4-20-12-15(11-16(20)21)19-17(22)14-7-5-6-13(10-14)8-9-18(2,3)23/h5-7,10,15,23H,4,8-9,11-12H2,1-3H3,(H,19,22)/t15-/m1/s1
InChIKeyPSJLXWUHUAEHEO-OAHLLOKOSA-N
XLogP1.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(3-hydroxy-3-methylbutyl)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

3-(3-hydroxy-3-methylbutyl)-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]benzamide
CID 95894196
3-(3-hydroxy-3-methylbutyl)-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
CID 95894197
3-(3-hydroxy-3-methylbutyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 70749711
N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-[6-(trifluoromethyl)-2-pyridinyl]benzamide
CID 126443376
3-(3-hydroxy-3-methylbutyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 70713171
5-ethyl-N-(1-ethyl-5-oxopyrrolidin-3-yl)thiophene-3-carboxamide
CID 56863100
3-(3-hydroxy-3-methylbutyl)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]benzamide
CID 91763791
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70788922
N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(2-methylquinolin-4-yl)benzamide
CID 125159905
N-[(1R,2R)-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yl]-3-(3-hydroxy-3-methylbutyl)benzamide
CID 70769043
N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-cyanobenzamide
CID 95334504
N-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 25378968

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(3-hydroxy-3-methylbutyl)benzamide?
The IUPAC name of N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(3-hydroxy-3-methylbutyl)benzamide (CID 95885487) is N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(3-hydroxy-3-methylbutyl)benzamide.
What is the SMILES notation for N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(3-hydroxy-3-methylbutyl)benzamide?
The canonical SMILES for N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(3-hydroxy-3-methylbutyl)benzamide is CCN1C[C@H](NC(=O)c2cccc(CCC(C)(C)O)c2)CC1=O.
What is the InChIKey of N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(3-hydroxy-3-methylbutyl)benzamide?
The InChIKey is PSJLXWUHUAEHEO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-20-12-15(11-16(20)21)19-17(22)14-7-5-6-13(10-14)8-9-18(2,3)23/h5-7,10,15,23H,4,8-9,11-12H2,1-3H3,(H,19,22)/t15-/m1/s1.
What are the key properties of N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(3-hydroxy-3-methylbutyl)benzamide?
N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(3-hydroxy-3-methylbutyl)benzamide has a molecular weight of 318.42 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]-3-(3-hydroxy-3-methylbutyl)benzamide is sourced from PubChem (CID 95885487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).