N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide

C20H19NO2 — CID 2876968

IUPACN-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide
SMILESCC(=O)NC(c1ccc(C)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C20H19NO2/c1-13-7-9-16(10-8-13)20(21-14(2)22)19-17-6-4-3-5-15(17)11-12-18(19)23/h3-12,20,23H,1-2H3,(H,21,22)
InChIKeyGIMPCZSTOHFERA-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.08
Rot. Bonds3

About N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide

N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide (PubChem CID 2876968) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide
PubChem CID2876968
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide
SMILESCC(=O)NC(c1ccc(C)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C20H19NO2/c1-13-7-9-16(10-8-13)20(21-14(2)22)19-17-6-4-3-5-15(17)11-12-18(19)23/h3-12,20,23H,1-2H3,(H,21,22)
InChIKeyGIMPCZSTOHFERA-UHFFFAOYSA-N
XLogP4.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
CID 767503
[(2-hydroxynaphthalen-1-yl)-(4-hydroxyphenyl)methyl]urea
CID 101497401
N-[(2-hydroxynaphthalen-1-yl)-(4-phenylphenyl)methyl]benzamide
CID 139235353
N-[(2,4-dihydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
CID 156613239
N-[(S)-(2,7-dihydroxynaphthalen-1-yl)-(4-propan-2-ylphenyl)methyl]acetamide
CID 802179
N-[(R)-[4-(dimethylamino)phenyl]-(2-hydroxynaphthalen-1-yl)methyl]propanamide
CID 877494
N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 877378
N-[(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]butanamide
CID 2876947
N-[(R)-(4-chlorophenyl)-(2,7-dihydroxynaphthalen-1-yl)methyl]acetamide
CID 801283
2,2,2-trifluoro-N-[(S)-(2-hydroxynaphthalen-1-yl)-phenylmethyl]acetamide
CID 721381
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide
CID 2787112
N-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]prop-2-enamide
CID 102482362

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide (CID 2876968) is N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide is CC(=O)NC(c1ccc(C)cc1)c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide?
The InChIKey is GIMPCZSTOHFERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-13-7-9-16(10-8-13)20(21-14(2)22)19-17-6-4-3-5-15(17)11-12-18(19)23/h3-12,20,23H,1-2H3,(H,21,22).
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide?
N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide has a molecular weight of 305.38 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 2876968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).