N-[4-[2-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]cyclohexyl]naphthalene-2-carboxamide

C27H30N2O3 — CID 142804428

IUPACN-[4-[2-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]cyclohexyl]naphthalene-2-carboxamide
SMILESCc1cc(C(=O)NO)ccc1CCC1CCC(NC(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C27H30N2O3/c1-18-16-23(27(31)29-32)12-10-20(18)9-6-19-7-14-25(15-8-19)28-26(30)24-13-11-21-4-2-3-5-22(21)17-24/h2-5,10-13,16-17,19,25,32H,6-9,14-15H2,1H3,(H,28,30)(H,29,31)
InChIKeyGZWDBHWWUVSMRZ-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.19
Rot. Bonds6

About N-[4-[2-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]cyclohexyl]naphthalene-2-carboxamide

N-[4-[2-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]cyclohexyl]naphthalene-2-carboxamide (PubChem CID 142804428) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-[4-[2-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]cyclohexyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]cyclohexyl]naphthalene-2-carboxamide
PubChem CID142804428
Molecular FormulaC27H30N2O3
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC NameN-[4-[2-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]cyclohexyl]naphthalene-2-carboxamide
SMILESCc1cc(C(=O)NO)ccc1CCC1CCC(NC(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C27H30N2O3/c1-18-16-23(27(31)29-32)12-10-20(18)9-6-19-7-14-25(15-8-19)28-26(30)24-13-11-21-4-2-3-5-22(21)17-24/h2-5,10-13,16-17,19,25,32H,6-9,14-15H2,1H3,(H,28,30)(H,29,31)
InChIKeyGZWDBHWWUVSMRZ-UHFFFAOYSA-N
XLogP5.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-3-methyl-N-(4-propylcyclohexyl)benzamide
CID 107676630
N-(1-ethylpiperidin-1-ium-4-yl)naphthalene-2-carboxamide
CID 9091090
N-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)amino]ethyl]cyclohexyl]naphthalene-2-carboxamide
CID 74390463
N-[8-[(2-methylphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]naphthalene-2-carboxamide
CID 162657511
1-N,3-N,5-N-tris(4-propylcyclohexyl)benzene-1,3,5-tricarboxamide
CID 67413322
4-[(4-propylcyclohexyl)carbamoyl]benzoic acid
CID 61409748
4-bromo-3-chloro-N-(4-propylcyclohexyl)benzamide
CID 81308175
4-[3-(naphthalene-2-carbonylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229008
3-bromo-4-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 81476356
[4-(cyclopropylcarbamoyl)-2-methylphenyl]boronic acid
CID 129359426
N-[4-[[4-[(4-aminocyclohexyl)methyl]cyclohexyl]carbamoyl]-2-methylphenyl]-1-benzothiophene-2-carboxamide
CID 23959898
4-chloro-N-(4-propylcyclohexyl)benzamide
CID 10612734

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]cyclohexyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-[2-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]cyclohexyl]naphthalene-2-carboxamide (CID 142804428) is N-[4-[2-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]cyclohexyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[2-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]cyclohexyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-[2-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]cyclohexyl]naphthalene-2-carboxamide is Cc1cc(C(=O)NO)ccc1CCC1CCC(NC(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of N-[4-[2-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]cyclohexyl]naphthalene-2-carboxamide?
The InChIKey is GZWDBHWWUVSMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-18-16-23(27(31)29-32)12-10-20(18)9-6-19-7-14-25(15-8-19)28-26(30)24-13-11-21-4-2-3-5-22(21)17-24/h2-5,10-13,16-17,19,25,32H,6-9,14-15H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-[4-[2-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]cyclohexyl]naphthalene-2-carboxamide?
N-[4-[2-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]cyclohexyl]naphthalene-2-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 5.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(hydroxycarbamoyl)-2-methylphenyl]ethyl]cyclohexyl]naphthalene-2-carboxamide is sourced from PubChem (CID 142804428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).