1-(3-amino-4-methylpyrrolidin-1-yl)-2-(7-methoxynaphthalen-1-yl)ethanone

C18H22N2O2 — CID 166238550

IUPAC1-(3-amino-4-methylpyrrolidin-1-yl)-2-(7-methoxynaphthalen-1-yl)ethanone
SMILESCOc1ccc2cccc(CC(=O)N3CC(C)C(N)C3)c2c1
InChIInChI=1S/C18H22N2O2/c1-12-10-20(11-17(12)19)18(21)8-14-5-3-4-13-6-7-15(22-2)9-16(13)14/h3-7,9,12,17H,8,10-11,19H2,1-2H3
InChIKeyJTCHQZFIGGUSJF-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.20
Rot. Bonds3

About 1-(3-amino-4-methylpyrrolidin-1-yl)-2-(7-methoxynaphthalen-1-yl)ethanone

1-(3-amino-4-methylpyrrolidin-1-yl)-2-(7-methoxynaphthalen-1-yl)ethanone (PubChem CID 166238550) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(3-amino-4-methylpyrrolidin-1-yl)-2-(7-methoxynaphthalen-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-4-methylpyrrolidin-1-yl)-2-(7-methoxynaphthalen-1-yl)ethanone
PubChem CID166238550
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-(3-amino-4-methylpyrrolidin-1-yl)-2-(7-methoxynaphthalen-1-yl)ethanone
SMILESCOc1ccc2cccc(CC(=O)N3CC(C)C(N)C3)c2c1
InChIInChI=1S/C18H22N2O2/c1-12-10-20(11-17(12)19)18(21)8-14-5-3-4-13-6-7-15(22-2)9-16(13)14/h3-7,9,12,17H,8,10-11,19H2,1-2H3
InChIKeyJTCHQZFIGGUSJF-UHFFFAOYSA-N
XLogP2.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-amino-4-methylpyrrolidin-1-yl)-2-(7-methoxynaphthalen-1-yl)ethanone 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

4-[2-(7-methoxynaphthalen-1-yl)acetyl]-N-methylmorpholine-2-carboxamide
CID 126787903
1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone;hydrochloride
CID 119592490
cis-(1R,3S)-3-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678697
1-[(1R,2S,3S)-2,3-dimethyl-1-oxo-1,4-thiazinan-4-yl]-2-(7-methoxynaphthalen-1-yl)ethanone
CID 99108051
1-cyclopropyl-3-(7-methoxynaphthalen-1-yl)propan-2-one
CID 113325067
N-[(7-methoxynaphthalen-1-yl)methoxy]cyclopropanecarboxamide
CID 19967333
1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-one
CID 113325070
2-(6-methoxynaphthalen-1-yl)acetic acid
CID 10398394
1-[(3R,5S)-3,5-diaminopiperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 118550657
1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 79873716
2-[cyclopropyl-[2-(7-methoxynaphthalen-1-yl)acetyl]amino]propanoic acid
CID 120519197
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-naphthalen-1-ylethanone
CID 90591931

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylpyrrolidin-1-yl)-2-(7-methoxynaphthalen-1-yl)ethanone?
The IUPAC name of 1-(3-amino-4-methylpyrrolidin-1-yl)-2-(7-methoxynaphthalen-1-yl)ethanone (CID 166238550) is 1-(3-amino-4-methylpyrrolidin-1-yl)-2-(7-methoxynaphthalen-1-yl)ethanone.
What is the SMILES notation for 1-(3-amino-4-methylpyrrolidin-1-yl)-2-(7-methoxynaphthalen-1-yl)ethanone?
The canonical SMILES for 1-(3-amino-4-methylpyrrolidin-1-yl)-2-(7-methoxynaphthalen-1-yl)ethanone is COc1ccc2cccc(CC(=O)N3CC(C)C(N)C3)c2c1.
What is the InChIKey of 1-(3-amino-4-methylpyrrolidin-1-yl)-2-(7-methoxynaphthalen-1-yl)ethanone?
The InChIKey is JTCHQZFIGGUSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-10-20(11-17(12)19)18(21)8-14-5-3-4-13-6-7-15(22-2)9-16(13)14/h3-7,9,12,17H,8,10-11,19H2,1-2H3.
What are the key properties of 1-(3-amino-4-methylpyrrolidin-1-yl)-2-(7-methoxynaphthalen-1-yl)ethanone?
1-(3-amino-4-methylpyrrolidin-1-yl)-2-(7-methoxynaphthalen-1-yl)ethanone has a molecular weight of 298.39 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylpyrrolidin-1-yl)-2-(7-methoxynaphthalen-1-yl)ethanone is sourced from PubChem (CID 166238550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).