2-[3-hydroxybutyl(methyl)amino]-N-naphthalen-2-ylpropanamide

C18H24N2O2 — CID 111496932

IUPAC2-[3-hydroxybutyl(methyl)amino]-N-naphthalen-2-ylpropanamide
SMILESCC(O)CCN(C)C(C)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C18H24N2O2/c1-13(21)10-11-20(3)14(2)18(22)19-17-9-8-15-6-4-5-7-16(15)12-17/h4-9,12-14,21H,10-11H2,1-3H3,(H,19,22)
InChIKeyGXHQODTUMJHJST-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.87
Rot. Bonds6

About 2-[3-hydroxybutyl(methyl)amino]-N-naphthalen-2-ylpropanamide

2-[3-hydroxybutyl(methyl)amino]-N-naphthalen-2-ylpropanamide (PubChem CID 111496932) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-[3-hydroxybutyl(methyl)amino]-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name2-[3-hydroxybutyl(methyl)amino]-N-naphthalen-2-ylpropanamide
PubChem CID111496932
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-[3-hydroxybutyl(methyl)amino]-N-naphthalen-2-ylpropanamide
SMILESCC(O)CCN(C)C(C)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C18H24N2O2/c1-13(21)10-11-20(3)14(2)18(22)19-17-9-8-15-6-4-5-7-16(15)12-17/h4-9,12-14,21H,10-11H2,1-3H3,(H,19,22)
InChIKeyGXHQODTUMJHJST-UHFFFAOYSA-N
XLogP2.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-4-methylphenyl)-2-[3-hydroxybutyl(methyl)amino]propanamide
CID 111488702
(2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide
CID 8767426
(2R)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide
CID 2572986
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-naphthalen-2-ylpropanamide
CID 46801974
1-(3-hydroxybutyl)-3-naphthalen-2-ylurea
CID 111336742
(2S)-2-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide
CID 25439831
(2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide
CID 58642005
(2S)-2-[(3-methoxy-4-methylsulfanylphenyl)methyl-methylamino]-N-naphthalen-2-ylpropanamide
CID 52504436
(2R)-2-amino-3-methyl-N-naphthalen-2-ylbutanamide
CID 671224
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]-N-naphthalen-2-ylpropanamide
CID 55628174
(2S)-2-amino-N-naphthalen-2-ylpentanediamide
CID 7020027
2-amino-4-methyl-N-naphthalen-2-ylpentanamide chloride
CID 5351894

Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxybutyl(methyl)amino]-N-naphthalen-2-ylpropanamide?
The IUPAC name of 2-[3-hydroxybutyl(methyl)amino]-N-naphthalen-2-ylpropanamide (CID 111496932) is 2-[3-hydroxybutyl(methyl)amino]-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for 2-[3-hydroxybutyl(methyl)amino]-N-naphthalen-2-ylpropanamide?
The canonical SMILES for 2-[3-hydroxybutyl(methyl)amino]-N-naphthalen-2-ylpropanamide is CC(O)CCN(C)C(C)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-[3-hydroxybutyl(methyl)amino]-N-naphthalen-2-ylpropanamide?
The InChIKey is GXHQODTUMJHJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13(21)10-11-20(3)14(2)18(22)19-17-9-8-15-6-4-5-7-16(15)12-17/h4-9,12-14,21H,10-11H2,1-3H3,(H,19,22).
What are the key properties of 2-[3-hydroxybutyl(methyl)amino]-N-naphthalen-2-ylpropanamide?
2-[3-hydroxybutyl(methyl)amino]-N-naphthalen-2-ylpropanamide has a molecular weight of 300.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxybutyl(methyl)amino]-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 111496932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).