4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide

C16H19NO2 — CID 115163076

IUPAC4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide
SMILESCN(Cc1cccc2ccccc12)C(=O)CCCO
InChIInChI=1S/C16H19NO2/c1-17(16(19)10-5-11-18)12-14-8-4-7-13-6-2-3-9-15(13)14/h2-4,6-9,18H,5,10-12H2,1H3
InChIKeyWHIBPNAWHNVAOY-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.57
Rot. Bonds5

About 4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide

4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide (PubChem CID 115163076) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide
PubChem CID115163076
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide
SMILESCN(Cc1cccc2ccccc12)C(=O)CCCO
InChIInChI=1S/C16H19NO2/c1-17(16(19)10-5-11-18)12-14-8-4-7-13-6-2-3-9-15(13)14/h2-4,6-9,18H,5,10-12H2,1H3
InChIKeyWHIBPNAWHNVAOY-UHFFFAOYSA-N
XLogP2.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79204909
N-(1-benzofuran-3-ylmethyl)-4-hydroxy-N-methylbutanamide
CID 115163073
N-[(2-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79200511
2-cyano-N-methyl-N-(naphthalen-1-ylmethyl)acetamide
CID 115173236
N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide
CID 115193849
N-[(2-hydroxyphenyl)methyl]-N-methyl-4-naphthalen-1-yloxybutanamide
CID 60518694
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-methyl-N-(naphthalen-1-ylmethyl)-5-oxopentanamide
CID 66794984
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methyl-N-(naphthalen-1-ylmethyl)-6-oxohexanamide
CID 66802286
3-[methyl-(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 60989846
4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 79201475
4-hydroxy-N-methyl-N-[(2,4,5-trimethylphenyl)methyl]butanamide
CID 115163051
N,N-bis(2-hydroxyethyl)-2-naphthalen-1-ylacetamide
CID 60653051

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide?
The IUPAC name of 4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide (CID 115163076) is 4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide.
What is the SMILES notation for 4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide?
The canonical SMILES for 4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide is CN(Cc1cccc2ccccc12)C(=O)CCCO.
What is the InChIKey of 4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide?
The InChIKey is WHIBPNAWHNVAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-17(16(19)10-5-11-18)12-14-8-4-7-13-6-2-3-9-15(13)14/h2-4,6-9,18H,5,10-12H2,1H3.
What are the key properties of 4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide?
4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide has a molecular weight of 257.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide is sourced from PubChem (CID 115163076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).