3-hydroxy-N-[[(5S)-3,3,5-trimethylcyclohexylidene]amino]naphthalene-2-carboxamide

C20H24N2O2 — CID 129431751

IUPAC3-hydroxy-N-[[(5S)-3,3,5-trimethylcyclohexylidene]amino]naphthalene-2-carboxamide
SMILESC[C@@H]1CC(=NNC(=O)c2cc3ccccc3cc2O)CC(C)(C)C1
InChIInChI=1S/C20H24N2O2/c1-13-8-16(12-20(2,3)11-13)21-22-19(24)17-9-14-6-4-5-7-15(14)10-18(17)23/h4-7,9-10,13,23H,8,11-12H2,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyXVRPVEIJQWLUAU-CYBMUJFWSA-N
MW324.42 g/mol
LogP4.48
Rot. Bonds2

About 3-hydroxy-N-[[(5S)-3,3,5-trimethylcyclohexylidene]amino]naphthalene-2-carboxamide

3-hydroxy-N-[[(5S)-3,3,5-trimethylcyclohexylidene]amino]naphthalene-2-carboxamide (PubChem CID 129431751) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-hydroxy-N-[[(5S)-3,3,5-trimethylcyclohexylidene]amino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[[(5S)-3,3,5-trimethylcyclohexylidene]amino]naphthalene-2-carboxamide
PubChem CID129431751
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-hydroxy-N-[[(5S)-3,3,5-trimethylcyclohexylidene]amino]naphthalene-2-carboxamide
SMILESC[C@@H]1CC(=NNC(=O)c2cc3ccccc3cc2O)CC(C)(C)C1
InChIInChI=1S/C20H24N2O2/c1-13-8-16(12-20(2,3)11-13)21-22-19(24)17-9-14-6-4-5-7-15(14)10-18(17)23/h4-7,9-10,13,23H,8,11-12H2,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyXVRPVEIJQWLUAU-CYBMUJFWSA-N
XLogP4.48
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_acyl_naphthol(22)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide
CID 6020523
N-[(Z)-(3,3,5-trimethylcyclohexylidene)amino]thiophene-2-carboxamide
CID 6377558
[[(5S)-3,3,5-trimethylcyclohexylidene]amino]urea
CID 6934624
[(E)-(3,3,5-trimethylcyclohexylidene)amino]urea
CID 6181691
2-(thiophen-2-ylsulfonylamino)-N-[(E)-(3,3,5-trimethylcyclohexylidene)amino]benzamide
CID 42912536
N-[[(5R)-3,3,5-trimethylcyclohexylidene]amino]cyclopropanecarboxamide
CID 129434317
3-hydroxy-N'-(4-methylcyclohexen-1-yl)naphthalene-2-carbohydrazide
CID 3613240
3-hydroxy-N-(1-naphthalen-2-ylethylideneamino)naphthalene-2-carboxamide
CID 4655754
N-[(Z)-(1-ethyl-3,6-diazatricyclo[4.3.1.13,8]undecan-9-ylidene)amino]-3-hydroxynaphthalene-2-carboxamide
CID 92849321
N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-hydroxybenzamide
CID 5183767
2-(4-cyanophenoxy)-N-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]acetamide
CID 9316535
N-(benzhydrylideneamino)-3,3,5-trimethylcyclohexan-1-imine
CID 4637201

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[[(5S)-3,3,5-trimethylcyclohexylidene]amino]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[[(5S)-3,3,5-trimethylcyclohexylidene]amino]naphthalene-2-carboxamide (CID 129431751) is 3-hydroxy-N-[[(5S)-3,3,5-trimethylcyclohexylidene]amino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[[(5S)-3,3,5-trimethylcyclohexylidene]amino]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[[(5S)-3,3,5-trimethylcyclohexylidene]amino]naphthalene-2-carboxamide is C[C@@H]1CC(=NNC(=O)c2cc3ccccc3cc2O)CC(C)(C)C1.
What is the InChIKey of 3-hydroxy-N-[[(5S)-3,3,5-trimethylcyclohexylidene]amino]naphthalene-2-carboxamide?
The InChIKey is XVRPVEIJQWLUAU-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-13-8-16(12-20(2,3)11-13)21-22-19(24)17-9-14-6-4-5-7-15(14)10-18(17)23/h4-7,9-10,13,23H,8,11-12H2,1-3H3,(H,22,24)/t13-/m1/s1.
What are the key properties of 3-hydroxy-N-[[(5S)-3,3,5-trimethylcyclohexylidene]amino]naphthalene-2-carboxamide?
3-hydroxy-N-[[(5S)-3,3,5-trimethylcyclohexylidene]amino]naphthalene-2-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[[(5S)-3,3,5-trimethylcyclohexylidene]amino]naphthalene-2-carboxamide is sourced from PubChem (CID 129431751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).