4-amino-N-[(3E,5Z)-2,5-dimethylocta-1,3,5-trien-3-yl]cyclohexa-1,5-diene-1-carboxamide

C17H24N2O — CID 89154078

IUPAC4-amino-N-[(3E,5Z)-2,5-dimethylocta-1,3,5-trien-3-yl]cyclohexa-1,5-diene-1-carboxamide
SMILESC=C(C)/C(=C\C(C)=C/CC)NC(=O)C1=CCC(N)C=C1
InChIInChI=1S/C17H24N2O/c1-5-6-13(4)11-16(12(2)3)19-17(20)14-7-9-15(18)10-8-14/h6-9,11,15H,2,5,10,18H2,1,3-4H3,(H,19,20)/b13-6-,16-11+
InChIKeyAHTHNNMHELRLKK-LRVCSTJASA-N
MW272.39 g/mol
LogP3.13
Rot. Bonds5

About 4-amino-N-[(3E,5Z)-2,5-dimethylocta-1,3,5-trien-3-yl]cyclohexa-1,5-diene-1-carboxamide

4-amino-N-[(3E,5Z)-2,5-dimethylocta-1,3,5-trien-3-yl]cyclohexa-1,5-diene-1-carboxamide (PubChem CID 89154078) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-amino-N-[(3E,5Z)-2,5-dimethylocta-1,3,5-trien-3-yl]cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3E,5Z)-2,5-dimethylocta-1,3,5-trien-3-yl]cyclohexa-1,5-diene-1-carboxamide
PubChem CID89154078
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-amino-N-[(3E,5Z)-2,5-dimethylocta-1,3,5-trien-3-yl]cyclohexa-1,5-diene-1-carboxamide
SMILESC=C(C)/C(=C\C(C)=C/CC)NC(=O)C1=CCC(N)C=C1
InChIInChI=1S/C17H24N2O/c1-5-6-13(4)11-16(12(2)3)19-17(20)14-7-9-15(18)10-8-14/h6-9,11,15H,2,5,10,18H2,1,3-4H3,(H,19,20)/b13-6-,16-11+
InChIKeyAHTHNNMHELRLKK-LRVCSTJASA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3E,5Z)-2,5-dimethylocta-1,3,5-trien-3-yl]cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 4-amino-N-[(3E,5Z)-2,5-dimethylocta-1,3,5-trien-3-yl]cyclohexa-1,5-diene-1-carboxamide (CID 89154078) is 4-amino-N-[(3E,5Z)-2,5-dimethylocta-1,3,5-trien-3-yl]cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(3E,5Z)-2,5-dimethylocta-1,3,5-trien-3-yl]cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 4-amino-N-[(3E,5Z)-2,5-dimethylocta-1,3,5-trien-3-yl]cyclohexa-1,5-diene-1-carboxamide is C=C(C)/C(=C\C(C)=C/CC)NC(=O)C1=CCC(N)C=C1.
What is the InChIKey of 4-amino-N-[(3E,5Z)-2,5-dimethylocta-1,3,5-trien-3-yl]cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is AHTHNNMHELRLKK-LRVCSTJASA-N. The full InChI is InChI=1S/C17H24N2O/c1-5-6-13(4)11-16(12(2)3)19-17(20)14-7-9-15(18)10-8-14/h6-9,11,15H,2,5,10,18H2,1,3-4H3,(H,19,20)/b13-6-,16-11+.
What are the key properties of 4-amino-N-[(3E,5Z)-2,5-dimethylocta-1,3,5-trien-3-yl]cyclohexa-1,5-diene-1-carboxamide?
4-amino-N-[(3E,5Z)-2,5-dimethylocta-1,3,5-trien-3-yl]cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3E,5Z)-2,5-dimethylocta-1,3,5-trien-3-yl]cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 89154078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).