5-[acetyl(tetradecyl)amino]-1-hydroxy-N-phenylnaphthalene-2-carboxamide

C33H44N2O3 — CID 22962195

IUPAC5-[acetyl(tetradecyl)amino]-1-hydroxy-N-phenylnaphthalene-2-carboxamide
SMILESCCCCCCCCCCCCCCN(C(C)=O)c1cccc2c(O)c(C(=O)Nc3ccccc3)ccc12
InChIInChI=1S/C33H44N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-17-25-35(26(2)36)31-22-18-21-29-28(31)23-24-30(32(29)37)33(38)34-27-19-15-14-16-20-27/h14-16,18-24,37H,3-13,17,25H2,1-2H3,(H,34,38)
InChIKeyNWIKJHQWAKEWBR-UHFFFAOYSA-N
MW516.73 g/mol
LogP8.85
Rot. Bonds16

About 5-[acetyl(tetradecyl)amino]-1-hydroxy-N-phenylnaphthalene-2-carboxamide

5-[acetyl(tetradecyl)amino]-1-hydroxy-N-phenylnaphthalene-2-carboxamide (PubChem CID 22962195) has the molecular formula C33H44N2O3 and a molecular weight of 516.73 g/mol. Its IUPAC name is 5-[acetyl(tetradecyl)amino]-1-hydroxy-N-phenylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name5-[acetyl(tetradecyl)amino]-1-hydroxy-N-phenylnaphthalene-2-carboxamide
PubChem CID22962195
Molecular FormulaC33H44N2O3
Molecular Weight516.73 g/mol
Exact Mass516.34
IUPAC Name5-[acetyl(tetradecyl)amino]-1-hydroxy-N-phenylnaphthalene-2-carboxamide
SMILESCCCCCCCCCCCCCCN(C(C)=O)c1cccc2c(O)c(C(=O)Nc3ccccc3)ccc12
InChIInChI=1S/C33H44N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-17-25-35(26(2)36)31-22-18-21-29-28(31)23-24-30(32(29)37)33(38)34-27-19-15-14-16-20-27/h14-16,18-24,37H,3-13,17,25H2,1-2H3,(H,34,38)
InChIKeyNWIKJHQWAKEWBR-UHFFFAOYSA-N
XLogP8.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.73
LogP ≤ 58.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[acetyl(tetradecyl)amino]-1-hydroxy-N-phenylnaphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[6-[(2-formylphenyl)carbamoyl]-5-hydroxynaphthalen-1-yl]-tetradecylcarbamoyl]sulfanylacetic acid
CID 20818355
5-[acetyl(ethyl)amino]-1-hydroxy-N-methylnaphthalene-2-carboxamide
CID 59929408
N-dodecyl-N-[5-hydroxy-6-[(2-methoxyphenyl)carbamoyl]naphthalen-1-yl]benzotriazole-2-carboxamide
CID 20732959
5-[acetyl-[[4-(1-hydroperoxyethenoxy)phenyl]methyl]amino]-1-hydroxy-N-(2-octadecoxyphenyl)naphthalene-2-carboxamide
CID 22962188
N-hexyl-N-phenylacetamide
CID 13217997
[4-(diethylamino)phenyl] [4-[[5-hydroxy-6-[(2-methoxyphenyl)carbamoyl]naphthalen-1-yl]-tetradecylcarbamoyl]oxyphenyl]methyl carbonate
CID 20818399
3-[[4-[hexadecyl-[5-hydroxy-6-[(2-methoxyphenyl)carbamoyl]naphthalen-1-yl]carbamoyl]oxyphenyl]methoxycarbonylsulfanyl]propanoic acid
CID 20818377
2-methyl-N-naphthalen-1-yl-N-tetradecylprop-2-enamide
CID 175049026
dodecanamide;2-hydroxy-N-phenylbenzamide
CID 174887161
4-acetyl-N-phenylnaphthalene-1-carboxamide
CID 70204412
tetradecyl 2-(phenylcarbamoyl)naphthalene-1-carboxylate
CID 163647049
1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide
CID 13492483

Frequently Asked Questions

What is the IUPAC name of 5-[acetyl(tetradecyl)amino]-1-hydroxy-N-phenylnaphthalene-2-carboxamide?
The IUPAC name of 5-[acetyl(tetradecyl)amino]-1-hydroxy-N-phenylnaphthalene-2-carboxamide (CID 22962195) is 5-[acetyl(tetradecyl)amino]-1-hydroxy-N-phenylnaphthalene-2-carboxamide.
What is the SMILES notation for 5-[acetyl(tetradecyl)amino]-1-hydroxy-N-phenylnaphthalene-2-carboxamide?
The canonical SMILES for 5-[acetyl(tetradecyl)amino]-1-hydroxy-N-phenylnaphthalene-2-carboxamide is CCCCCCCCCCCCCCN(C(C)=O)c1cccc2c(O)c(C(=O)Nc3ccccc3)ccc12.
What is the InChIKey of 5-[acetyl(tetradecyl)amino]-1-hydroxy-N-phenylnaphthalene-2-carboxamide?
The InChIKey is NWIKJHQWAKEWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-17-25-35(26(2)36)31-22-18-21-29-28(31)23-24-30(32(29)37)33(38)34-27-19-15-14-16-20-27/h14-16,18-24,37H,3-13,17,25H2,1-2H3,(H,34,38).
What are the key properties of 5-[acetyl(tetradecyl)amino]-1-hydroxy-N-phenylnaphthalene-2-carboxamide?
5-[acetyl(tetradecyl)amino]-1-hydroxy-N-phenylnaphthalene-2-carboxamide has a molecular weight of 516.73 g/mol, XLogP of 8.85, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[acetyl(tetradecyl)amino]-1-hydroxy-N-phenylnaphthalene-2-carboxamide is sourced from PubChem (CID 22962195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).