N-hydroxy-4-[(1R)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]benzamide

C19H28N2O3 — CID 58417520

IUPACN-hydroxy-4-[(1R)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]benzamide
SMILESCC(C)[C@@H](NC(=O)C1(C)CCCCC1)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C19H28N2O3/c1-13(2)16(14-7-9-15(10-8-14)17(22)21-24)20-18(23)19(3)11-5-4-6-12-19/h7-10,13,16,24H,4-6,11-12H2,1-3H3,(H,20,23)(H,21,22)/t16-/m1/s1
InChIKeyZDGOTFNPNRQEDI-MRXNPFEDSA-N
MW332.44 g/mol
LogP3.59
Rot. Bonds5

About N-hydroxy-4-[(1R)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]benzamide

N-hydroxy-4-[(1R)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]benzamide (PubChem CID 58417520) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-hydroxy-4-[(1R)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(1R)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]benzamide
PubChem CID58417520
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-hydroxy-4-[(1R)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]benzamide
SMILESCC(C)[C@@H](NC(=O)C1(C)CCCCC1)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C19H28N2O3/c1-13(2)16(14-7-9-15(10-8-14)17(22)21-24)20-18(23)19(3)11-5-4-6-12-19/h7-10,13,16,24H,4-6,11-12H2,1-3H3,(H,20,23)(H,21,22)/t16-/m1/s1
InChIKeyZDGOTFNPNRQEDI-MRXNPFEDSA-N
XLogP3.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.59
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(1R)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]benzamide?
The IUPAC name of N-hydroxy-4-[(1R)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]benzamide (CID 58417520) is N-hydroxy-4-[(1R)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(1R)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(1R)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]benzamide is CC(C)[C@@H](NC(=O)C1(C)CCCCC1)c1ccc(C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-4-[(1R)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]benzamide?
The InChIKey is ZDGOTFNPNRQEDI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13(2)16(14-7-9-15(10-8-14)17(22)21-24)20-18(23)19(3)11-5-4-6-12-19/h7-10,13,16,24H,4-6,11-12H2,1-3H3,(H,20,23)(H,21,22)/t16-/m1/s1.
What are the key properties of N-hydroxy-4-[(1R)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]benzamide?
N-hydroxy-4-[(1R)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]benzamide has a molecular weight of 332.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(1R)-2-methyl-1-[(1-methylcyclohexanecarbonyl)amino]propyl]benzamide is sourced from PubChem (CID 58417520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).