4-amino-N-[(3Z,5E)-5-nitrosoocta-3,5,7-trienyl]cyclohexane-1-carboxamide

C15H23N3O2 — CID 89073701

IUPAC4-amino-N-[(3Z,5E)-5-nitrosoocta-3,5,7-trienyl]cyclohexane-1-carboxamide
SMILESC=C/C=C(\C=C/CCNC(=O)C1CCC(N)CC1)N=O
InChIInChI=1S/C15H23N3O2/c1-2-5-14(18-20)6-3-4-11-17-15(19)12-7-9-13(16)10-8-12/h2-3,5-6,12-13H,1,4,7-11,16H2,(H,17,19)/b6-3-,14-5+
InChIKeyNDWZLCQKTQOZLA-OFJPYBOLSA-N
MW277.37 g/mol
LogP2.40
Rot. Bonds7

About 4-amino-N-[(3Z,5E)-5-nitrosoocta-3,5,7-trienyl]cyclohexane-1-carboxamide

4-amino-N-[(3Z,5E)-5-nitrosoocta-3,5,7-trienyl]cyclohexane-1-carboxamide (PubChem CID 89073701) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-amino-N-[(3Z,5E)-5-nitrosoocta-3,5,7-trienyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3Z,5E)-5-nitrosoocta-3,5,7-trienyl]cyclohexane-1-carboxamide
PubChem CID89073701
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-amino-N-[(3Z,5E)-5-nitrosoocta-3,5,7-trienyl]cyclohexane-1-carboxamide
SMILESC=C/C=C(\C=C/CCNC(=O)C1CCC(N)CC1)N=O
InChIInChI=1S/C15H23N3O2/c1-2-5-14(18-20)6-3-4-11-17-15(19)12-7-9-13(16)10-8-12/h2-3,5-6,12-13H,1,4,7-11,16H2,(H,17,19)/b6-3-,14-5+
InChIKeyNDWZLCQKTQOZLA-OFJPYBOLSA-N
XLogP2.40
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-amino-N-[(3Z,5E)-5-nitrosoocta-3,5,7-trienyl]cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3Z,5E)-5-nitrosoocta-3,5,7-trienyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-[(3Z,5E)-5-nitrosoocta-3,5,7-trienyl]cyclohexane-1-carboxamide (CID 89073701) is 4-amino-N-[(3Z,5E)-5-nitrosoocta-3,5,7-trienyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(3Z,5E)-5-nitrosoocta-3,5,7-trienyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-[(3Z,5E)-5-nitrosoocta-3,5,7-trienyl]cyclohexane-1-carboxamide is C=C/C=C(\C=C/CCNC(=O)C1CCC(N)CC1)N=O.
What is the InChIKey of 4-amino-N-[(3Z,5E)-5-nitrosoocta-3,5,7-trienyl]cyclohexane-1-carboxamide?
The InChIKey is NDWZLCQKTQOZLA-OFJPYBOLSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-2-5-14(18-20)6-3-4-11-17-15(19)12-7-9-13(16)10-8-12/h2-3,5-6,12-13H,1,4,7-11,16H2,(H,17,19)/b6-3-,14-5+.
What are the key properties of 4-amino-N-[(3Z,5E)-5-nitrosoocta-3,5,7-trienyl]cyclohexane-1-carboxamide?
4-amino-N-[(3Z,5E)-5-nitrosoocta-3,5,7-trienyl]cyclohexane-1-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3Z,5E)-5-nitrosoocta-3,5,7-trienyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 89073701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).