2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone

C17H20N2O — CID 78790285

IUPAC2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C17H20N2O/c1-18(13-17(20)19-10-4-5-11-19)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12H,4-5,10-11,13H2,1H3
InChIKeyHSXNGXFCDQPVPV-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.90
Rot. Bonds3

About 2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone

2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 78790285) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID78790285
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCN(CC(=O)N1CCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C17H20N2O/c1-18(13-17(20)19-10-4-5-11-19)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12H,4-5,10-11,13H2,1H3
InChIKeyHSXNGXFCDQPVPV-UHFFFAOYSA-N
XLogP2.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-1-yl)-2-(3,4-difluoro-N-methylanilino)ethanone
CID 60572912
2-[3-(aminomethyl)-N-methylanilino]-1-pyrrolidin-1-ylethanone
CID 62969965
1-(azepan-1-yl)-2-[methyl(naphthalen-1-yl)amino]ethanone
CID 60572838
2-amino-5-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzamide
CID 61440357
4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzonitrile
CID 55025728
2-[4-(aminomethyl)-N-methylanilino]-1-(azepan-1-yl)ethanone
CID 43275613
2-fluoro-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]benzenecarbothioamide
CID 115368032
2-(2-amino-N-methylanilino)-1-pyrrolidin-1-ylethanone
CID 61438205
1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[methyl(naphthalen-2-yl)amino]ethanone
CID 78841274
1-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-[methyl(naphthalen-2-yl)amino]ethanone
CID 9348494
2-naphthalen-2-ylsulfonyl-1-pyrrolidin-1-ylethanone
CID 851310
1-(azepan-1-yl)-2-naphthalen-2-ylsulfanylethanone
CID 56736237

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone (CID 78790285) is 2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone is CN(CC(=O)N1CCCC1)c1ccc2ccccc2c1.
What is the InChIKey of 2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is HSXNGXFCDQPVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-18(13-17(20)19-10-4-5-11-19)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12H,4-5,10-11,13H2,1H3.
What are the key properties of 2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone?
2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 268.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(naphthalen-2-yl)amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 78790285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).