N-[4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]azepane-1-carboxamide

C24H25N3O3 — CID 56569494

IUPACN-[4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]azepane-1-carboxamide
SMILESO=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cc2ccccc2cc1O
InChIInChI=1S/C24H25N3O3/c28-22-16-18-8-4-3-7-17(18)15-21(22)23(29)25-19-9-11-20(12-10-19)26-24(30)27-13-5-1-2-6-14-27/h3-4,7-12,15-16,28H,1-2,5-6,13-14H2,(H,25,29)(H,26,30)
InChIKeyNSMLWWVFYZRPTC-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.21
Rot. Bonds3

About N-[4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]azepane-1-carboxamide

N-[4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]azepane-1-carboxamide (PubChem CID 56569494) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]azepane-1-carboxamide
PubChem CID56569494
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]azepane-1-carboxamide
SMILESO=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cc2ccccc2cc1O
InChIInChI=1S/C24H25N3O3/c28-22-16-18-8-4-3-7-17(18)15-21(22)23(29)25-19-9-11-20(12-10-19)26-24(30)27-13-5-1-2-6-14-27/h3-4,7-12,15-16,28H,1-2,5-6,13-14H2,(H,25,29)(H,26,30)
InChIKeyNSMLWWVFYZRPTC-UHFFFAOYSA-N
XLogP5.21
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-bromo-2-hydroxybenzoyl)amino]phenyl]azepane-1-carboxamide
CID 56569590
sodium 3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 21118656
2-hydroxy-4-(pyrrolidine-1-carbonylamino)benzoic acid
CID 61189115
3-hydroxy-N-[4-(methylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 25469011
3,5-dihydroxy-N-(4-piperidin-1-ylphenyl)naphthalene-2-carboxamide;ethane
CID 91474191
3-hydroxy-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)naphthalene-2-carboxamide
CID 56556236
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-hydroxynaphthalene-2-carboxamide
CID 55690810
4-(2-hydroxybenzoyl)-N-naphthalen-2-ylpiperazine-1-carboxamide
CID 78892976
N-[4-[(5-amino-2-methylbenzoyl)amino]phenyl]azepane-1-carboxamide;hydrochloride
CID 120628975
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 47029137
N-(4-chloro-3-hydroxyphenyl)piperidine-1-carboxamide
CID 79155981
N-(4-bromophenyl)azocane-1-carboxamide
CID 3245808

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]azepane-1-carboxamide?
The IUPAC name of N-[4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]azepane-1-carboxamide (CID 56569494) is N-[4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]azepane-1-carboxamide.
What is the SMILES notation for N-[4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]azepane-1-carboxamide?
The canonical SMILES for N-[4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]azepane-1-carboxamide is O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cc2ccccc2cc1O.
What is the InChIKey of N-[4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]azepane-1-carboxamide?
The InChIKey is NSMLWWVFYZRPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c28-22-16-18-8-4-3-7-17(18)15-21(22)23(29)25-19-9-11-20(12-10-19)26-24(30)27-13-5-1-2-6-14-27/h3-4,7-12,15-16,28H,1-2,5-6,13-14H2,(H,25,29)(H,26,30).
What are the key properties of N-[4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]azepane-1-carboxamide?
N-[4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]azepane-1-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 5.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl]azepane-1-carboxamide is sourced from PubChem (CID 56569494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).