N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclohexyl]-4-methylbenzamide

C16H23N3O3 — CID 59876316

IUPACN-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclohexyl]-4-methylbenzamide
SMILESCNC1CC[C@H](C(=O)NO)C(NC(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C16H23N3O3/c1-10-3-5-11(6-4-10)15(20)18-14-9-12(17-2)7-8-13(14)16(21)19-22/h3-6,12-14,17,22H,7-9H2,1-2H3,(H,18,20)(H,19,21)/t12?,13-,14?/m0/s1
InChIKeyVNEMJWARLLPGKL-MOKVOYLWSA-N
MW305.38 g/mol
LogP0.99
Rot. Bonds4

About N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclohexyl]-4-methylbenzamide

N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclohexyl]-4-methylbenzamide (PubChem CID 59876316) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclohexyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclohexyl]-4-methylbenzamide
PubChem CID59876316
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclohexyl]-4-methylbenzamide
SMILESCNC1CC[C@H](C(=O)NO)C(NC(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C16H23N3O3/c1-10-3-5-11(6-4-10)15(20)18-14-9-12(17-2)7-8-13(14)16(21)19-22/h3-6,12-14,17,22H,7-9H2,1-2H3,(H,18,20)(H,19,21)/t12?,13-,14?/m0/s1
InChIKeyVNEMJWARLLPGKL-MOKVOYLWSA-N
XLogP0.99
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclohexyl]-4-methylbenzamide?
The IUPAC name of N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclohexyl]-4-methylbenzamide (CID 59876316) is N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclohexyl]-4-methylbenzamide.
What is the SMILES notation for N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclohexyl]-4-methylbenzamide?
The canonical SMILES for N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclohexyl]-4-methylbenzamide is CNC1CC[C@H](C(=O)NO)C(NC(=O)c2ccc(C)cc2)C1.
What is the InChIKey of N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclohexyl]-4-methylbenzamide?
The InChIKey is VNEMJWARLLPGKL-MOKVOYLWSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-10-3-5-11(6-4-10)15(20)18-14-9-12(17-2)7-8-13(14)16(21)19-22/h3-6,12-14,17,22H,7-9H2,1-2H3,(H,18,20)(H,19,21)/t12?,13-,14?/m0/s1.
What are the key properties of N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclohexyl]-4-methylbenzamide?
N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclohexyl]-4-methylbenzamide has a molecular weight of 305.38 g/mol, XLogP of 0.99, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(hydroxycarbamoyl)-5-(methylamino)cyclohexyl]-4-methylbenzamide is sourced from PubChem (CID 59876316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).