4-(hydroxyamino)-N-[(2E,4Z)-7-oxoocta-2,4-dien-3-yl]cyclohexane-1-carboxamide

C15H24N2O3 — CID 89073698

IUPAC4-(hydroxyamino)-N-[(2E,4Z)-7-oxoocta-2,4-dien-3-yl]cyclohexane-1-carboxamide
SMILESC/C=C(\C=C/CC(C)=O)NC(=O)C1CCC(NO)CC1
InChIInChI=1S/C15H24N2O3/c1-3-13(6-4-5-11(2)18)16-15(19)12-7-9-14(17-20)10-8-12/h3-4,6,12,14,17,20H,5,7-10H2,1-2H3,(H,16,19)/b6-4-,13-3+
InChIKeyQNZXRXRLIWTXHI-JASHMWLRSA-N
MW280.37 g/mol
LogP2.08
Rot. Bonds6

About 4-(hydroxyamino)-N-[(2E,4Z)-7-oxoocta-2,4-dien-3-yl]cyclohexane-1-carboxamide

4-(hydroxyamino)-N-[(2E,4Z)-7-oxoocta-2,4-dien-3-yl]cyclohexane-1-carboxamide (PubChem CID 89073698) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(hydroxyamino)-N-[(2E,4Z)-7-oxoocta-2,4-dien-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxyamino)-N-[(2E,4Z)-7-oxoocta-2,4-dien-3-yl]cyclohexane-1-carboxamide
PubChem CID89073698
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-(hydroxyamino)-N-[(2E,4Z)-7-oxoocta-2,4-dien-3-yl]cyclohexane-1-carboxamide
SMILESC/C=C(\C=C/CC(C)=O)NC(=O)C1CCC(NO)CC1
InChIInChI=1S/C15H24N2O3/c1-3-13(6-4-5-11(2)18)16-15(19)12-7-9-14(17-20)10-8-12/h3-4,6,12,14,17,20H,5,7-10H2,1-2H3,(H,16,19)/b6-4-,13-3+
InChIKeyQNZXRXRLIWTXHI-JASHMWLRSA-N
XLogP2.08
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(hydroxyamino)-N-[(2E,4Z)-7-oxoocta-2,4-dien-3-yl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

4-amino-N-[(3Z,5E)-5-nitrosoocta-3,5,7-trienyl]cyclohexane-1-carboxamide
CID 89073701
4-amino-N-[(3E,5E)-6,7-dihydroxyocta-3,5,7-trien-4-yl]cyclohexane-1-carboxamide
CID 89073782
4-amino-N-[(3Z,5Z)-5-ethylidenenona-1,3-dien-2-yl]cyclohexane-1-carboxamide
CID 89073783
N-[(Z,4Z)-2-amino-4-(6-methylidenecyclohexa-2,4-dien-1-ylidene)but-2-enyl]-4-(hydroxyamino)cyclohexane-1-carboxamide
CID 89073859
4-amino-N-[(3E,5E)-6-methyldeca-1,3,5-trien-3-yl]cyclohexane-1-carboxamide
CID 89153819
4-amino-N-[(3E)-5-cyclopentylidenepenta-1,3-dien-3-yl]cyclohexane-1-carboxamide
CID 89214827
4-amino-N-[(3Z)-10-methylidenecyclodeca-1,3-dien-1-yl]cyclohexane-1-carboxamide
CID 173489187

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxyamino)-N-[(2E,4Z)-7-oxoocta-2,4-dien-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-(hydroxyamino)-N-[(2E,4Z)-7-oxoocta-2,4-dien-3-yl]cyclohexane-1-carboxamide (CID 89073698) is 4-(hydroxyamino)-N-[(2E,4Z)-7-oxoocta-2,4-dien-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(hydroxyamino)-N-[(2E,4Z)-7-oxoocta-2,4-dien-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-(hydroxyamino)-N-[(2E,4Z)-7-oxoocta-2,4-dien-3-yl]cyclohexane-1-carboxamide is C/C=C(\C=C/CC(C)=O)NC(=O)C1CCC(NO)CC1.
What is the InChIKey of 4-(hydroxyamino)-N-[(2E,4Z)-7-oxoocta-2,4-dien-3-yl]cyclohexane-1-carboxamide?
The InChIKey is QNZXRXRLIWTXHI-JASHMWLRSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-13(6-4-5-11(2)18)16-15(19)12-7-9-14(17-20)10-8-12/h3-4,6,12,14,17,20H,5,7-10H2,1-2H3,(H,16,19)/b6-4-,13-3+.
What are the key properties of 4-(hydroxyamino)-N-[(2E,4Z)-7-oxoocta-2,4-dien-3-yl]cyclohexane-1-carboxamide?
4-(hydroxyamino)-N-[(2E,4Z)-7-oxoocta-2,4-dien-3-yl]cyclohexane-1-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxyamino)-N-[(2E,4Z)-7-oxoocta-2,4-dien-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 89073698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).