(2R)-N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

C20H28N2O3 — CID 95177177

IUPAC(2R)-N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC(C)[C@H](C(=O)NC[C@@]1(O)CCCc2ccccc21)N1CCCC1=O
InChIInChI=1S/C20H28N2O3/c1-14(2)18(22-12-6-10-17(22)23)19(24)21-13-20(25)11-5-8-15-7-3-4-9-16(15)20/h3-4,7,9,14,18,25H,5-6,8,10-13H2,1-2H3,(H,21,24)/t18-,20+/m1/s1
InChIKeyQVFUPTIQNULHMP-QUCCMNQESA-N
MW344.45 g/mol
LogP1.97
Rot. Bonds5

About (2R)-N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

(2R)-N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 95177177) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is (2R)-N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2R)-N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID95177177
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name(2R)-N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCC(C)[C@H](C(=O)NC[C@@]1(O)CCCc2ccccc21)N1CCCC1=O
InChIInChI=1S/C20H28N2O3/c1-14(2)18(22-12-6-10-17(22)23)19(24)21-13-20(25)11-5-8-15-7-3-4-9-16(15)20/h3-4,7,9,14,18,25H,5-6,8,10-13H2,1-2H3,(H,21,24)/t18-,20+/m1/s1
InChIKeyQVFUPTIQNULHMP-QUCCMNQESA-N
XLogP1.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide 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-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide
CID 51100996
tert-butyl N-[(2R)-1-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methylamino]-1-oxopropan-2-yl]carbamate
CID 95177131
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 110911035
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propanamide
CID 111540492
1-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(2-methyl-3-pyrrolidin-1-ylpropyl)urea
CID 111110756
1-[4-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]piperidin-1-yl]ethanone
CID 111110346
N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 111461395
N-(2-amino-2-methylpropyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride
CID 119629967
N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 119508806
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 120891077
(1S)-2,2-dichloro-N-[[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]cyclopropane-1-carboxamide
CID 95986974
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-2-(3-methyl-6-oxopyridazin-1-yl)acetamide
CID 111110665

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of (2R)-N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (CID 95177177) is (2R)-N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for (2R)-N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for (2R)-N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide is CC(C)[C@H](C(=O)NC[C@@]1(O)CCCc2ccccc21)N1CCCC1=O.
What is the InChIKey of (2R)-N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is QVFUPTIQNULHMP-QUCCMNQESA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14(2)18(22-12-6-10-17(22)23)19(24)21-13-20(25)11-5-8-15-7-3-4-9-16(15)20/h3-4,7,9,14,18,25H,5-6,8,10-13H2,1-2H3,(H,21,24)/t18-,20+/m1/s1.
What are the key properties of (2R)-N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
(2R)-N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 344.45 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(1R)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 95177177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).