2-[2-hydroxyethyl(methyl)amino]-N-naphthalen-1-ylpropanamide

C16H20N2O2 — CID 110880711

IUPAC2-[2-hydroxyethyl(methyl)amino]-N-naphthalen-1-ylpropanamide
SMILESCC(C(=O)Nc1cccc2ccccc12)N(C)CCO
InChIInChI=1S/C16H20N2O2/c1-12(18(2)10-11-19)16(20)17-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,19H,10-11H2,1-2H3,(H,17,20)
InChIKeyNTIOCBAUKHZTQC-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.09
Rot. Bonds5

About 2-[2-hydroxyethyl(methyl)amino]-N-naphthalen-1-ylpropanamide

2-[2-hydroxyethyl(methyl)amino]-N-naphthalen-1-ylpropanamide (PubChem CID 110880711) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]-N-naphthalen-1-ylpropanamide
PubChem CID110880711
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[2-hydroxyethyl(methyl)amino]-N-naphthalen-1-ylpropanamide
SMILESCC(C(=O)Nc1cccc2ccccc12)N(C)CCO
InChIInChI=1S/C16H20N2O2/c1-12(18(2)10-11-19)16(20)17-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,19H,10-11H2,1-2H3,(H,17,20)
InChIKeyNTIOCBAUKHZTQC-UHFFFAOYSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-naphthalen-1-ylpropanamide
CID 17425599
2-bromo-3-methyl-N-naphthalen-1-ylbutanamide
CID 4074049
2-methyl-N-naphthalen-1-ylpentanamide
CID 112762783
(2S)-2-[ethyl(thiophen-2-ylmethyl)amino]-N-naphthalen-1-ylpropanamide
CID 8718468
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylpropanamide
CID 8798163
1-[(2R)-1-aminopropan-2-yl]-3-naphthalen-1-ylurea
CID 104877165
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
3-[methyl-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]amino]propanoic acid;hydrochloride
CID 119911993
2-[ethyl(2-hydroxyethyl)amino]-N-naphthalen-1-ylacetamide
CID 31993077
1-[3-(dimethylamino)propyl]-3-naphthalen-1-ylurea;hydrochloride
CID 134126097
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-naphthalen-1-ylpropanamide
CID 126384842

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-N-naphthalen-1-ylpropanamide?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]-N-naphthalen-1-ylpropanamide (CID 110880711) is 2-[2-hydroxyethyl(methyl)amino]-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]-N-naphthalen-1-ylpropanamide is CC(C(=O)Nc1cccc2ccccc12)N(C)CCO.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]-N-naphthalen-1-ylpropanamide?
The InChIKey is NTIOCBAUKHZTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(18(2)10-11-19)16(20)17-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12,19H,10-11H2,1-2H3,(H,17,20).
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]-N-naphthalen-1-ylpropanamide?
2-[2-hydroxyethyl(methyl)amino]-N-naphthalen-1-ylpropanamide has a molecular weight of 272.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)amino]-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 110880711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).