6-acetyl-N-[2-hydroxy-5-(methylamino)phenyl]naphthalene-1-carboxamide

C20H18N2O3 — CID 59310237

IUPAC6-acetyl-N-[2-hydroxy-5-(methylamino)phenyl]naphthalene-1-carboxamide
SMILESCNc1ccc(O)c(NC(=O)c2cccc3cc(C(C)=O)ccc23)c1
InChIInChI=1S/C20H18N2O3/c1-12(23)13-6-8-16-14(10-13)4-3-5-17(16)20(25)22-18-11-15(21-2)7-9-19(18)24/h3-11,21,24H,1-2H3,(H,22,25)
InChIKeyZVBKUKQOQLSTOY-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.04
Rot. Bonds4

About 6-acetyl-N-[2-hydroxy-5-(methylamino)phenyl]naphthalene-1-carboxamide

6-acetyl-N-[2-hydroxy-5-(methylamino)phenyl]naphthalene-1-carboxamide (PubChem CID 59310237) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-acetyl-N-[2-hydroxy-5-(methylamino)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-acetyl-N-[2-hydroxy-5-(methylamino)phenyl]naphthalene-1-carboxamide
PubChem CID59310237
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name6-acetyl-N-[2-hydroxy-5-(methylamino)phenyl]naphthalene-1-carboxamide
SMILESCNc1ccc(O)c(NC(=O)c2cccc3cc(C(C)=O)ccc23)c1
InChIInChI=1S/C20H18N2O3/c1-12(23)13-6-8-16-14(10-13)4-3-5-17(16)20(25)22-18-11-15(21-2)7-9-19(18)24/h3-11,21,24H,1-2H3,(H,22,25)
InChIKeyZVBKUKQOQLSTOY-UHFFFAOYSA-N
XLogP4.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-3-(naphthalene-1-carbonylamino)benzoic acid
CID 108753992
N-[4-hydroxy-3-[(2-methylbenzoyl)amino]phenyl]-2-methylbenzamide
CID 154278124
N-(3-fluoro-4-hydroxyphenyl)naphthalene-1-carboxamide
CID 64781251
2-hydroxy-5-(naphthalene-2-carbonylamino)benzoic acid;4-(naphthalene-1-carbonylamino)benzoic acid
CID 160883730
2-[4-[(6-acetylnaphthalene-2-carbonyl)amino]-2-sulfophenyl]-5-(methylamino)benzenesulfonic acid
CID 87174418
N-(3-benzamido-4-chlorophenyl)naphthalene-1-carboxamide
CID 1104039
N-[3-chloro-4-(naphthalene-1-carbonylamino)phenyl]naphthalene-1-carboxamide
CID 2179861
N-(4-fluorophenyl)-6-hydroxynaphthalene-1-carboxamide
CID 171383627
N-[4-[(2-methylphenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 2988389
1-(6-hydroxy-5-methylnaphthalen-2-yl)ethanone
CID 130032637
1-(5-aminonaphthalen-2-yl)ethanone
CID 115016880
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)naphthalene-1-carboxamide
CID 46652299

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-N-[2-hydroxy-5-(methylamino)phenyl]naphthalene-1-carboxamide?
The IUPAC name of 6-acetyl-N-[2-hydroxy-5-(methylamino)phenyl]naphthalene-1-carboxamide (CID 59310237) is 6-acetyl-N-[2-hydroxy-5-(methylamino)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for 6-acetyl-N-[2-hydroxy-5-(methylamino)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for 6-acetyl-N-[2-hydroxy-5-(methylamino)phenyl]naphthalene-1-carboxamide is CNc1ccc(O)c(NC(=O)c2cccc3cc(C(C)=O)ccc23)c1.
What is the InChIKey of 6-acetyl-N-[2-hydroxy-5-(methylamino)phenyl]naphthalene-1-carboxamide?
The InChIKey is ZVBKUKQOQLSTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-12(23)13-6-8-16-14(10-13)4-3-5-17(16)20(25)22-18-11-15(21-2)7-9-19(18)24/h3-11,21,24H,1-2H3,(H,22,25).
What are the key properties of 6-acetyl-N-[2-hydroxy-5-(methylamino)phenyl]naphthalene-1-carboxamide?
6-acetyl-N-[2-hydroxy-5-(methylamino)phenyl]naphthalene-1-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 4.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-N-[2-hydroxy-5-(methylamino)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 59310237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).