(2S)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

C21H26N2O3 — CID 52515379

IUPAC(2S)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCOc1ccc2cc(CNC(=O)[C@H](C(C)C)N3CCCC3=O)ccc2c1
InChIInChI=1S/C21H26N2O3/c1-14(2)20(23-10-4-5-19(23)24)21(25)22-13-15-6-7-17-12-18(26-3)9-8-16(17)11-15/h6-9,11-12,14,20H,4-5,10,13H2,1-3H3,(H,22,25)/t20-/m0/s1
InChIKeyDHJRFFAEPVLLQC-FQEVSTJZSA-N
MW354.45 g/mol
LogP3.11
Rot. Bonds6

About (2S)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

(2S)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 52515379) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2S)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID52515379
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(2S)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCOc1ccc2cc(CNC(=O)[C@H](C(C)C)N3CCCC3=O)ccc2c1
InChIInChI=1S/C21H26N2O3/c1-14(2)20(23-10-4-5-19(23)24)21(25)22-13-15-6-7-17-12-18(26-3)9-8-16(17)11-15/h6-9,11-12,14,20H,4-5,10,13H2,1-3H3,(H,22,25)/t20-/m0/s1
InChIKeyDHJRFFAEPVLLQC-FQEVSTJZSA-N
XLogP3.11
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide with MolForge

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Related Compounds

(2R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 95296556
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 110911035
N-[(6-methoxynaphthalen-2-yl)methyl]-2-methylbutanamide
CID 24622689
(2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride
CID 119276428
1-[(6-methoxynaphthalen-2-yl)methyl]-3-propan-2-ylurea
CID 24612075
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-phenylethyl)butanamide
CID 51100996
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide
CID 24598970
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methylpentanamide;hydrochloride
CID 119699304
N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 111461395
N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 119508806
1-[(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]-2-phenylethyl]pyrrolidin-2-one
CID 94154287

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of (2S)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (CID 52515379) is (2S)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for (2S)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for (2S)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide is COc1ccc2cc(CNC(=O)[C@H](C(C)C)N3CCCC3=O)ccc2c1.
What is the InChIKey of (2S)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is DHJRFFAEPVLLQC-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14(2)20(23-10-4-5-19(23)24)21(25)22-13-15-6-7-17-12-18(26-3)9-8-16(17)11-15/h6-9,11-12,14,20H,4-5,10,13H2,1-3H3,(H,22,25)/t20-/m0/s1.
What are the key properties of (2S)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
(2S)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 354.45 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 52515379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).