4-[(4-butyl-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide

C27H25N3O3 — CID 135991568

IUPAC4-[(4-butyl-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
SMILESCCCCc1ccc(/N=N/c2c(O)c(C(=O)Nc3ccccc3)cc3ccccc23)c(O)c1
InChIInChI=1S/C27H25N3O3/c1-2-3-9-18-14-15-23(24(31)16-18)29-30-25-21-13-8-7-10-19(21)17-22(26(25)32)27(33)28-20-11-5-4-6-12-20/h4-8,10-17,31-32H,2-3,9H2,1H3,(H,28,33)/b30-29+
InChIKeyKQZRXCUMILNUPJ-QVIHXGFCSA-N
MW439.52 g/mol
LogP7.26
Rot. Bonds7

About 4-[(4-butyl-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide

4-[(4-butyl-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide (PubChem CID 135991568) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 4-[(4-butyl-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-[(4-butyl-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
PubChem CID135991568
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Name4-[(4-butyl-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
SMILESCCCCc1ccc(/N=N/c2c(O)c(C(=O)Nc3ccccc3)cc3ccccc23)c(O)c1
InChIInChI=1S/C27H25N3O3/c1-2-3-9-18-14-15-23(24(31)16-18)29-30-25-21-13-8-7-10-19(21)17-22(26(25)32)27(33)28-20-11-5-4-6-12-20/h4-8,10-17,31-32H,2-3,9H2,1H3,(H,28,33)/b30-29+
InChIKeyKQZRXCUMILNUPJ-QVIHXGFCSA-N
XLogP7.26
TPSA94.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 57.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

bis(4-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide);iron;methane
CID 161221882
4-[(2-chloro-3-methylphenyl)diazenyl]-N-[4-[[4-[(2-chloro-3-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]-3-hydroxynaphthalene-2-carboxamide
CID 136854780
N-[2,5-diethyl-4-[[3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 177438647
N-(4-ethoxyphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 155007361
2-hydroxy-5-pentyl-N-phenylbenzamide
CID 69463997
1-[(5-chloro-2-hydroxyphenyl)diazenyl]-3-(phenylcarbamoyl)naphthalen-2-olate
CID 136688245
4-[(4-benzamido-3,5-dimethoxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 177440661
4-[[4-[(3-chloro-2-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]-N-[4-[[4-[(3-chloro-2-methylphenyl)diazenyl]-3-hydroxynaphthalene-2-carbonyl]amino]phenyl]benzenecarboximidic acid
CID 136849552
N-[3-chloro-4-[[3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 177482631
3-hydroxy-N-[3-[3-[[3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenoxy]phenyl]-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 163998747
2-[[3-hydroxy-4-[[4-[2-[4-[[2-hydroxy-3-(propylcarbamoyl)naphthalen-1-yl]diazenyl]phenyl]ethyl]phenyl]diazenyl]naphthalene-2-carbonyl]amino]ethyl-trimethylazanium
CID 135738328
2-chloro-4-[[3-[(4-ethoxyphenyl)carbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]-5-methylbenzenesulfonic acid
CID 136708299

Frequently Asked Questions

What is the IUPAC name of 4-[(4-butyl-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide?
The IUPAC name of 4-[(4-butyl-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide (CID 135991568) is 4-[(4-butyl-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide.
What is the SMILES notation for 4-[(4-butyl-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide?
The canonical SMILES for 4-[(4-butyl-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide is CCCCc1ccc(/N=N/c2c(O)c(C(=O)Nc3ccccc3)cc3ccccc23)c(O)c1.
What is the InChIKey of 4-[(4-butyl-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide?
The InChIKey is KQZRXCUMILNUPJ-QVIHXGFCSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-2-3-9-18-14-15-23(24(31)16-18)29-30-25-21-13-8-7-10-19(21)17-22(26(25)32)27(33)28-20-11-5-4-6-12-20/h4-8,10-17,31-32H,2-3,9H2,1H3,(H,28,33)/b30-29+.
What are the key properties of 4-[(4-butyl-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide?
4-[(4-butyl-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 7.26, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-butyl-2-hydroxyphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide is sourced from PubChem (CID 135991568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).