3-benzyl-4-hydroxy-N,N-dimethylnaphthalene-1-carboxamide

C20H19NO2 — CID 15617916

IUPAC3-benzyl-4-hydroxy-N,N-dimethylnaphthalene-1-carboxamide
SMILESCN(C)C(=O)c1cc(Cc2ccccc2)c(O)c2ccccc12
InChIInChI=1S/C20H19NO2/c1-21(2)20(23)18-13-15(12-14-8-4-3-5-9-14)19(22)17-11-7-6-10-16(17)18/h3-11,13,22H,12H2,1-2H3
InChIKeyDCMRVYUJYJFOSE-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.84
Rot. Bonds3

About 3-benzyl-4-hydroxy-N,N-dimethylnaphthalene-1-carboxamide

3-benzyl-4-hydroxy-N,N-dimethylnaphthalene-1-carboxamide (PubChem CID 15617916) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-benzyl-4-hydroxy-N,N-dimethylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-4-hydroxy-N,N-dimethylnaphthalene-1-carboxamide
PubChem CID15617916
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name3-benzyl-4-hydroxy-N,N-dimethylnaphthalene-1-carboxamide
SMILESCN(C)C(=O)c1cc(Cc2ccccc2)c(O)c2ccccc12
InChIInChI=1S/C20H19NO2/c1-21(2)20(23)18-13-15(12-14-8-4-3-5-9-14)19(22)17-11-7-6-10-16(17)18/h3-11,13,22H,12H2,1-2H3
InChIKeyDCMRVYUJYJFOSE-UHFFFAOYSA-N
XLogP3.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzyl-2,3,4-trihydroxybenzoic acid
CID 175212254
4-benzyl-1-hydroxy-N,N-dioctylnaphthalene-2-carboxamide
CID 18716940
4-amino-1-hydroxy-N,N-dimethylnaphthalene-2-carboxamide
CID 14127490
methyl 3-benzyl-2-hydroxy-5-methylbenzoate
CID 11858624
N,N-dimethylchrysene-1-carboxamide
CID 140682617
4-[(4-chlorophenyl)methyl]-2-ethylnaphthalen-1-ol
CID 139609307
(5-benzyl-2,4-dihydroxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 19910307
2-(3,5-dibenzyl-2-hydroxyphenyl)acetamide
CID 163237018
3-benzyl-5-[bis(4-propan-2-ylphenyl)methyl]-2-hydroxybenzoic acid
CID 139751253
N-benzyl-5-ethyl-2,4-dihydroxy-N-methylbenzamide
CID 143307644
3-butyl-2-hydroxy-N,N-dimethylbenzamide
CID 22930623
4-benzyl-3-hydroxynaphthalene-2-carboxylic acid
CID 22237045

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-hydroxy-N,N-dimethylnaphthalene-1-carboxamide?
The IUPAC name of 3-benzyl-4-hydroxy-N,N-dimethylnaphthalene-1-carboxamide (CID 15617916) is 3-benzyl-4-hydroxy-N,N-dimethylnaphthalene-1-carboxamide.
What is the SMILES notation for 3-benzyl-4-hydroxy-N,N-dimethylnaphthalene-1-carboxamide?
The canonical SMILES for 3-benzyl-4-hydroxy-N,N-dimethylnaphthalene-1-carboxamide is CN(C)C(=O)c1cc(Cc2ccccc2)c(O)c2ccccc12.
What is the InChIKey of 3-benzyl-4-hydroxy-N,N-dimethylnaphthalene-1-carboxamide?
The InChIKey is DCMRVYUJYJFOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-21(2)20(23)18-13-15(12-14-8-4-3-5-9-14)19(22)17-11-7-6-10-16(17)18/h3-11,13,22H,12H2,1-2H3.
What are the key properties of 3-benzyl-4-hydroxy-N,N-dimethylnaphthalene-1-carboxamide?
3-benzyl-4-hydroxy-N,N-dimethylnaphthalene-1-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-hydroxy-N,N-dimethylnaphthalene-1-carboxamide is sourced from PubChem (CID 15617916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).