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

C19H17NO4 — CID 156613239

IUPACN-[(2,4-dihydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
SMILESCC(=O)NC(c1ccc(O)cc1O)c1c(O)ccc2ccccc12
InChIInChI=1S/C19H17NO4/c1-11(21)20-19(15-8-7-13(22)10-17(15)24)18-14-5-3-2-4-12(14)6-9-16(18)23/h2-10,19,22-24H,1H3,(H,20,21)
InChIKeyZVCMSBOONAEQAQ-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.18
Rot. Bonds3

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

N-[(2,4-dihydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide (PubChem CID 156613239) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[(2,4-dihydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2,4-dihydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
PubChem CID156613239
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC NameN-[(2,4-dihydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
SMILESCC(=O)NC(c1ccc(O)cc1O)c1c(O)ccc2ccccc12
InChIInChI=1S/C19H17NO4/c1-11(21)20-19(15-8-7-13(22)10-17(15)24)18-14-5-3-2-4-12(14)6-9-16(18)23/h2-10,19,22-24H,1H3,(H,20,21)
InChIKeyZVCMSBOONAEQAQ-UHFFFAOYSA-N
XLogP3.18
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide
CID 2876968
N-[(R)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
CID 767503
N-[(S)-(2,7-dihydroxynaphthalen-1-yl)-(4-propan-2-ylphenyl)methyl]acetamide
CID 802179
N-[(R)-(4-chlorophenyl)-(2,7-dihydroxynaphthalen-1-yl)methyl]acetamide
CID 801283
[(2-hydroxynaphthalen-1-yl)-(4-hydroxyphenyl)methyl]urea
CID 101497401
ethyl N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]carbamate
CID 102495715
N-[(S)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]pentanamide
CID 7432415
N-[(5-bromo-2-hydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide
CID 122396722
benzyl N-[(2-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]carbamate
CID 102475859
N-[(2,3-dimethoxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]benzamide
CID 71733407
N-[(2-hydroxynaphthalen-1-yl)-(2-methoxyphenyl)methyl]pentanamide
CID 3129256
N-[(R)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-3-methoxybenzamide
CID 2281447

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dihydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide?
The IUPAC name of N-[(2,4-dihydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide (CID 156613239) is N-[(2,4-dihydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide.
What is the SMILES notation for N-[(2,4-dihydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide?
The canonical SMILES for N-[(2,4-dihydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide is CC(=O)NC(c1ccc(O)cc1O)c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(2,4-dihydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide?
The InChIKey is ZVCMSBOONAEQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-11(21)20-19(15-8-7-13(22)10-17(15)24)18-14-5-3-2-4-12(14)6-9-16(18)23/h2-10,19,22-24H,1H3,(H,20,21).
What are the key properties of N-[(2,4-dihydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide?
N-[(2,4-dihydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide has a molecular weight of 323.35 g/mol, XLogP of 3.18, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dihydroxyphenyl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide is sourced from PubChem (CID 156613239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).