(2R)-N-hydroxy-2-[(4R)-4-(2-methylpropyl)cyclohexen-1-yl]propanamide

C13H23NO2 — CID 125480453

IUPAC(2R)-N-hydroxy-2-[(4R)-4-(2-methylpropyl)cyclohexen-1-yl]propanamide
SMILESCC(C)C[C@@H]1CC=C([C@@H](C)C(=O)NO)CC1
InChIInChI=1S/C13H23NO2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(15)14-16/h6,9-11,16H,4-5,7-8H2,1-3H3,(H,14,15)/t10-,11-/m1/s1
InChIKeyCIEHPOYXJZSOGH-GHMZBOCLSA-N
MW225.33 g/mol
LogP2.90
Rot. Bonds4

About (2R)-N-hydroxy-2-[(4R)-4-(2-methylpropyl)cyclohexen-1-yl]propanamide

(2R)-N-hydroxy-2-[(4R)-4-(2-methylpropyl)cyclohexen-1-yl]propanamide (PubChem CID 125480453) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-[(4R)-4-(2-methylpropyl)cyclohexen-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-[(4R)-4-(2-methylpropyl)cyclohexen-1-yl]propanamide
PubChem CID125480453
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(2R)-N-hydroxy-2-[(4R)-4-(2-methylpropyl)cyclohexen-1-yl]propanamide
SMILESCC(C)C[C@@H]1CC=C([C@@H](C)C(=O)NO)CC1
InChIInChI=1S/C13H23NO2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(15)14-16/h6,9-11,16H,4-5,7-8H2,1-3H3,(H,14,15)/t10-,11-/m1/s1
InChIKeyCIEHPOYXJZSOGH-GHMZBOCLSA-N
XLogP2.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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 (2R)-N-hydroxy-2-[(4R)-4-(2-methylpropyl)cyclohexen-1-yl]propanamide?
The IUPAC name of (2R)-N-hydroxy-2-[(4R)-4-(2-methylpropyl)cyclohexen-1-yl]propanamide (CID 125480453) is (2R)-N-hydroxy-2-[(4R)-4-(2-methylpropyl)cyclohexen-1-yl]propanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-[(4R)-4-(2-methylpropyl)cyclohexen-1-yl]propanamide?
The canonical SMILES for (2R)-N-hydroxy-2-[(4R)-4-(2-methylpropyl)cyclohexen-1-yl]propanamide is CC(C)C[C@@H]1CC=C([C@@H](C)C(=O)NO)CC1.
What is the InChIKey of (2R)-N-hydroxy-2-[(4R)-4-(2-methylpropyl)cyclohexen-1-yl]propanamide?
The InChIKey is CIEHPOYXJZSOGH-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H23NO2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(15)14-16/h6,9-11,16H,4-5,7-8H2,1-3H3,(H,14,15)/t10-,11-/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-[(4R)-4-(2-methylpropyl)cyclohexen-1-yl]propanamide?
(2R)-N-hydroxy-2-[(4R)-4-(2-methylpropyl)cyclohexen-1-yl]propanamide has a molecular weight of 225.33 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-[(4R)-4-(2-methylpropyl)cyclohexen-1-yl]propanamide is sourced from PubChem (CID 125480453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).