3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]azepan-2-one

C17H24N2O2 — CID 43688046

IUPAC3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]azepan-2-one
SMILESCOc1ccc2c(c1)CCCC2NC1CCCCNC1=O
InChIInChI=1S/C17H24N2O2/c1-21-13-8-9-14-12(11-13)5-4-7-15(14)19-16-6-2-3-10-18-17(16)20/h8-9,11,15-16,19H,2-7,10H2,1H3,(H,18,20)
InChIKeyJEBZDNASTSTHHB-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.33
Rot. Bonds3

About 3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]azepan-2-one

3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]azepan-2-one (PubChem CID 43688046) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]azepan-2-one.

Molecular Properties

Compound Name3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]azepan-2-one
PubChem CID43688046
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]azepan-2-one
SMILESCOc1ccc2c(c1)CCCC2NC1CCCCNC1=O
InChIInChI=1S/C17H24N2O2/c1-21-13-8-9-14-12(11-13)5-4-7-15(14)19-16-6-2-3-10-18-17(16)20/h8-9,11,15-16,19H,2-7,10H2,1H3,(H,18,20)
InChIKeyJEBZDNASTSTHHB-UHFFFAOYSA-N
XLogP2.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]azepan-2-one 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-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 78319340
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750
N-(dicyclopropylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43096402
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-dimethylpropanamide
CID 98004897
N-(3-ethoxycyclobutyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103921144
3-methoxy-N-(2-oxoazepan-3-yl)benzamide
CID 15069514
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2,2-dimethylpropan-1-ol
CID 115359037
3-[(2,5-dimethoxyphenyl)methylamino]piperidin-2-one
CID 55033823
6-methoxy-2a,3,4,8b-tetrahydro-1H-naphtho[1,2-b]azet-2-one
CID 66350309
N-cyclohexyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239408
3-[[3-(4-methoxyphenyl)cyclobutyl]amino]piperidin-2-one
CID 62092299
N-butan-2-yl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43190307

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]azepan-2-one?
The IUPAC name of 3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]azepan-2-one (CID 43688046) is 3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]azepan-2-one.
What is the SMILES notation for 3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]azepan-2-one?
The canonical SMILES for 3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]azepan-2-one is COc1ccc2c(c1)CCCC2NC1CCCCNC1=O.
What is the InChIKey of 3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]azepan-2-one?
The InChIKey is JEBZDNASTSTHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-21-13-8-9-14-12(11-13)5-4-7-15(14)19-16-6-2-3-10-18-17(16)20/h8-9,11,15-16,19H,2-7,10H2,1H3,(H,18,20).
What are the key properties of 3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]azepan-2-one?
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]azepan-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]azepan-2-one is sourced from PubChem (CID 43688046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).