N-(3-hydroxybutyl)-N-methyl-2-naphthalen-1-ylacetamide

C17H21NO2 — CID 111695871

IUPACN-(3-hydroxybutyl)-N-methyl-2-naphthalen-1-ylacetamide
SMILESCC(O)CCN(C)C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C17H21NO2/c1-13(19)10-11-18(2)17(20)12-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13,19H,10-12H2,1-2H3
InChIKeyREBSMIHXOHQEKB-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.61
Rot. Bonds5

About N-(3-hydroxybutyl)-N-methyl-2-naphthalen-1-ylacetamide

N-(3-hydroxybutyl)-N-methyl-2-naphthalen-1-ylacetamide (PubChem CID 111695871) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N-methyl-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N-methyl-2-naphthalen-1-ylacetamide
PubChem CID111695871
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-(3-hydroxybutyl)-N-methyl-2-naphthalen-1-ylacetamide
SMILESCC(O)CCN(C)C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C17H21NO2/c1-13(19)10-11-18(2)17(20)12-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13,19H,10-12H2,1-2H3
InChIKeyREBSMIHXOHQEKB-UHFFFAOYSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxybutyl)-2-(2-hydroxyphenyl)-N-methylacetamide
CID 115693680
3-[methyl-(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 60989846
N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 111695957
3-amino-N-methyl-N-(2-naphthalen-1-ylethyl)butanamide
CID 119758698
N-(3-aminopropyl)-2-naphthalen-1-yl-N-propan-2-ylacetamide
CID 43319276
3-(2-chlorophenyl)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 115673311
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161
N-[(2R)-1-ethylsulfonylpropan-2-yl]-N-methyl-2-naphthalen-1-ylacetamide
CID 96533199
N,N-bis(2-hydroxyethyl)-2-naphthalen-1-ylacetamide
CID 60653051
N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide
CID 115193849
2-(2-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 80740739
1-chloro-N-(3-hydroxybutyl)-N-methylisoquinoline-3-carboxamide
CID 115747963

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N-methyl-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(3-hydroxybutyl)-N-methyl-2-naphthalen-1-ylacetamide (CID 111695871) is N-(3-hydroxybutyl)-N-methyl-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N-methyl-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(3-hydroxybutyl)-N-methyl-2-naphthalen-1-ylacetamide is CC(O)CCN(C)C(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-(3-hydroxybutyl)-N-methyl-2-naphthalen-1-ylacetamide?
The InChIKey is REBSMIHXOHQEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-13(19)10-11-18(2)17(20)12-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,13,19H,10-12H2,1-2H3.
What are the key properties of N-(3-hydroxybutyl)-N-methyl-2-naphthalen-1-ylacetamide?
N-(3-hydroxybutyl)-N-methyl-2-naphthalen-1-ylacetamide has a molecular weight of 271.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N-methyl-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 111695871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).