(4Z)-2-amino-N-(3-aminophenyl)-4-ethenylhepta-4,6-dienamide

C15H19N3O — CID 142900367

IUPAC(4Z)-2-amino-N-(3-aminophenyl)-4-ethenylhepta-4,6-dienamide
SMILESC=C/C=C(\C=C)CC(N)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C15H19N3O/c1-3-6-11(4-2)9-14(17)15(19)18-13-8-5-7-12(16)10-13/h3-8,10,14H,1-2,9,16-17H2,(H,18,19)/b11-6+
InChIKeyDAZCODUNZTUKCP-IZZDOVSWSA-N
MW257.34 g/mol
LogP2.22
Rot. Bonds6

About (4Z)-2-amino-N-(3-aminophenyl)-4-ethenylhepta-4,6-dienamide

(4Z)-2-amino-N-(3-aminophenyl)-4-ethenylhepta-4,6-dienamide (PubChem CID 142900367) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (4Z)-2-amino-N-(3-aminophenyl)-4-ethenylhepta-4,6-dienamide.

Molecular Properties

Compound Name(4Z)-2-amino-N-(3-aminophenyl)-4-ethenylhepta-4,6-dienamide
PubChem CID142900367
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(4Z)-2-amino-N-(3-aminophenyl)-4-ethenylhepta-4,6-dienamide
SMILESC=C/C=C(\C=C)CC(N)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C15H19N3O/c1-3-6-11(4-2)9-14(17)15(19)18-13-8-5-7-12(16)10-13/h3-8,10,14H,1-2,9,16-17H2,(H,18,19)/b11-6+
InChIKeyDAZCODUNZTUKCP-IZZDOVSWSA-N
XLogP2.22
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(3-aminophenyl)-4-methylpentanamide
CID 110482503
2-amino-N-(3-aminophenyl)propanamide
CID 110478892
(2S)-2-amino-N-(3-aminophenyl)-4-ethylsulfanylbutanamide
CID 154120262
(2S)-N-(3-aminophenyl)-2-methylbutanamide
CID 40788840
N-(3-acetamidophenyl)-2-aminobutanediamide
CID 60847053
(4Z)-2-amino-4-ethenyl-N-phenylhepta-4,6-dienamide;N-[2-[(5-bromo-2-methylpyrimidin-4-yl)amino]ethyl]acetamide
CID 142900458
(2S)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788842
(2R)-N-(3-aminophenyl)-2-methylpentanamide
CID 40788841
2-amino-N-(3-methylphenyl)butanamide
CID 43649463
N-(3-aminophenyl)-2-(2-hydroxyphenyl)acetamide
CID 80744377
2-amino-N-[3-(carbamoylamino)phenyl]butanamide
CID 43710987
N-(3-aminophenyl)-2-ethoxypropanamide
CID 16782214

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-amino-N-(3-aminophenyl)-4-ethenylhepta-4,6-dienamide?
The IUPAC name of (4Z)-2-amino-N-(3-aminophenyl)-4-ethenylhepta-4,6-dienamide (CID 142900367) is (4Z)-2-amino-N-(3-aminophenyl)-4-ethenylhepta-4,6-dienamide.
What is the SMILES notation for (4Z)-2-amino-N-(3-aminophenyl)-4-ethenylhepta-4,6-dienamide?
The canonical SMILES for (4Z)-2-amino-N-(3-aminophenyl)-4-ethenylhepta-4,6-dienamide is C=C/C=C(\C=C)CC(N)C(=O)Nc1cccc(N)c1.
What is the InChIKey of (4Z)-2-amino-N-(3-aminophenyl)-4-ethenylhepta-4,6-dienamide?
The InChIKey is DAZCODUNZTUKCP-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-6-11(4-2)9-14(17)15(19)18-13-8-5-7-12(16)10-13/h3-8,10,14H,1-2,9,16-17H2,(H,18,19)/b11-6+.
What are the key properties of (4Z)-2-amino-N-(3-aminophenyl)-4-ethenylhepta-4,6-dienamide?
(4Z)-2-amino-N-(3-aminophenyl)-4-ethenylhepta-4,6-dienamide has a molecular weight of 257.34 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-amino-N-(3-aminophenyl)-4-ethenylhepta-4,6-dienamide is sourced from PubChem (CID 142900367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).