N-hydroxy-N'-(4-phenylcyclohexyl)-2-propan-2-ylbutanediamide

C19H28N2O3 — CID 10131670

IUPACN-hydroxy-N'-(4-phenylcyclohexyl)-2-propan-2-ylbutanediamide
SMILESCC(C)C(CC(=O)NC1CCC(c2ccccc2)CC1)C(=O)NO
InChIInChI=1S/C19H28N2O3/c1-13(2)17(19(23)21-24)12-18(22)20-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-7,13,15-17,24H,8-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyHZAQWJCLUCAAPV-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.00
Rot. Bonds6

About N-hydroxy-N'-(4-phenylcyclohexyl)-2-propan-2-ylbutanediamide

N-hydroxy-N'-(4-phenylcyclohexyl)-2-propan-2-ylbutanediamide (PubChem CID 10131670) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-hydroxy-N'-(4-phenylcyclohexyl)-2-propan-2-ylbutanediamide.

Molecular Properties

Compound NameN-hydroxy-N'-(4-phenylcyclohexyl)-2-propan-2-ylbutanediamide
PubChem CID10131670
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-hydroxy-N'-(4-phenylcyclohexyl)-2-propan-2-ylbutanediamide
SMILESCC(C)C(CC(=O)NC1CCC(c2ccccc2)CC1)C(=O)NO
InChIInChI=1S/C19H28N2O3/c1-13(2)17(19(23)21-24)12-18(22)20-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-7,13,15-17,24H,8-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyHZAQWJCLUCAAPV-UHFFFAOYSA-N
XLogP3.00
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.00
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-N'-(4-phenylcyclohexyl)-2-propan-2-ylbutanediamide?
The IUPAC name of N-hydroxy-N'-(4-phenylcyclohexyl)-2-propan-2-ylbutanediamide (CID 10131670) is N-hydroxy-N'-(4-phenylcyclohexyl)-2-propan-2-ylbutanediamide.
What is the SMILES notation for N-hydroxy-N'-(4-phenylcyclohexyl)-2-propan-2-ylbutanediamide?
The canonical SMILES for N-hydroxy-N'-(4-phenylcyclohexyl)-2-propan-2-ylbutanediamide is CC(C)C(CC(=O)NC1CCC(c2ccccc2)CC1)C(=O)NO.
What is the InChIKey of N-hydroxy-N'-(4-phenylcyclohexyl)-2-propan-2-ylbutanediamide?
The InChIKey is HZAQWJCLUCAAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13(2)17(19(23)21-24)12-18(22)20-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-7,13,15-17,24H,8-12H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-hydroxy-N'-(4-phenylcyclohexyl)-2-propan-2-ylbutanediamide?
N-hydroxy-N'-(4-phenylcyclohexyl)-2-propan-2-ylbutanediamide has a molecular weight of 332.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-(4-phenylcyclohexyl)-2-propan-2-ylbutanediamide is sourced from PubChem (CID 10131670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).