1-hydroxy-N-[(4-phenylcyclohexylidene)amino]naphthalene-2-carboxamide

C23H22N2O2 — CID 17337814

IUPAC1-hydroxy-N-[(4-phenylcyclohexylidene)amino]naphthalene-2-carboxamide
SMILESO=C(NN=C1CCC(c2ccccc2)CC1)c1ccc2ccccc2c1O
InChIInChI=1S/C23H22N2O2/c26-22-20-9-5-4-8-18(20)12-15-21(22)23(27)25-24-19-13-10-17(11-14-19)16-6-2-1-3-7-16/h1-9,12,15,17,26H,10-11,13-14H2,(H,25,27)/b24-19-
InChIKeyOOGINNZWLWAMOW-CLCOLTQESA-N
MW358.44 g/mol
LogP4.99
Rot. Bonds3

About 1-hydroxy-N-[(4-phenylcyclohexylidene)amino]naphthalene-2-carboxamide

1-hydroxy-N-[(4-phenylcyclohexylidene)amino]naphthalene-2-carboxamide (PubChem CID 17337814) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-hydroxy-N-[(4-phenylcyclohexylidene)amino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[(4-phenylcyclohexylidene)amino]naphthalene-2-carboxamide
PubChem CID17337814
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name1-hydroxy-N-[(4-phenylcyclohexylidene)amino]naphthalene-2-carboxamide
SMILESO=C(NN=C1CCC(c2ccccc2)CC1)c1ccc2ccccc2c1O
InChIInChI=1S/C23H22N2O2/c26-22-20-9-5-4-8-18(20)12-15-21(22)23(27)25-24-19-13-10-17(11-14-19)16-6-2-1-3-7-16/h1-9,12,15,17,26H,10-11,13-14H2,(H,25,27)/b24-19-
InChIKeyOOGINNZWLWAMOW-CLCOLTQESA-N
XLogP4.99
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N,4-N-bis[(4-phenylcyclohexylidene)amino]benzene-1,4-dicarboxamide
CID 4994656
4-amino-N-[(4-phenylcyclohexylidene)amino]benzamide
CID 9070972
5-methyl-N-[(4-phenylcyclohexylidene)amino]furan-2-carboxamide
CID 4594839
N-[(4-phenylcyclohexylidene)amino]pyridine-3-carboxamide
CID 556058
3,5-dimethoxy-N-[(4-phenylcyclohexylidene)amino]benzamide
CID 9461102
2-methyl-N-[(4-phenylcyclohexylidene)amino]pyrazole-3-carboxamide
CID 674622
2-(4-methoxyphenyl)-N-[(4-phenylcyclohexylidene)amino]acetamide
CID 4075219
N-(benzylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 4115727
3,4-dichloro-N-[2-[[(4-phenylcyclohexylidene)amino]carbamoyl]phenyl]benzamide
CID 5156115
1-(furan-2-ylmethyl)-3-[(4-phenylcyclohexylidene)amino]urea
CID 75405456
2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-[(4-phenylcyclohexylidene)amino]benzamide
CID 5161508
2-hydroxy-N-[[4-[(2-hydroxybenzoyl)hydrazinylidene]cyclohexylidene]amino]benzamide
CID 4240118

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[(4-phenylcyclohexylidene)amino]naphthalene-2-carboxamide?
The IUPAC name of 1-hydroxy-N-[(4-phenylcyclohexylidene)amino]naphthalene-2-carboxamide (CID 17337814) is 1-hydroxy-N-[(4-phenylcyclohexylidene)amino]naphthalene-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[(4-phenylcyclohexylidene)amino]naphthalene-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-[(4-phenylcyclohexylidene)amino]naphthalene-2-carboxamide is O=C(NN=C1CCC(c2ccccc2)CC1)c1ccc2ccccc2c1O.
What is the InChIKey of 1-hydroxy-N-[(4-phenylcyclohexylidene)amino]naphthalene-2-carboxamide?
The InChIKey is OOGINNZWLWAMOW-CLCOLTQESA-N. The full InChI is InChI=1S/C23H22N2O2/c26-22-20-9-5-4-8-18(20)12-15-21(22)23(27)25-24-19-13-10-17(11-14-19)16-6-2-1-3-7-16/h1-9,12,15,17,26H,10-11,13-14H2,(H,25,27)/b24-19-.
What are the key properties of 1-hydroxy-N-[(4-phenylcyclohexylidene)amino]naphthalene-2-carboxamide?
1-hydroxy-N-[(4-phenylcyclohexylidene)amino]naphthalene-2-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[(4-phenylcyclohexylidene)amino]naphthalene-2-carboxamide is sourced from PubChem (CID 17337814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).