(3Z)-N-(4-aminophenyl)-3-ethenylhexa-3,5-dienamide

C14H16N2O — CID 143113299

IUPAC(3Z)-N-(4-aminophenyl)-3-ethenylhexa-3,5-dienamide
SMILESC=C/C=C(\C=C)CC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C14H16N2O/c1-3-5-11(4-2)10-14(17)16-13-8-6-12(15)7-9-13/h3-9H,1-2,10,15H2,(H,16,17)/b11-5+
InChIKeyBNLNUIOVSNHCPI-VZUCSPMQSA-N
MW228.29 g/mol
LogP2.90
Rot. Bonds5

About (3Z)-N-(4-aminophenyl)-3-ethenylhexa-3,5-dienamide

(3Z)-N-(4-aminophenyl)-3-ethenylhexa-3,5-dienamide (PubChem CID 143113299) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is (3Z)-N-(4-aminophenyl)-3-ethenylhexa-3,5-dienamide.

Molecular Properties

Compound Name(3Z)-N-(4-aminophenyl)-3-ethenylhexa-3,5-dienamide
PubChem CID143113299
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name(3Z)-N-(4-aminophenyl)-3-ethenylhexa-3,5-dienamide
SMILESC=C/C=C(\C=C)CC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C14H16N2O/c1-3-5-11(4-2)10-14(17)16-13-8-6-12(15)7-9-13/h3-9H,1-2,10,15H2,(H,16,17)/b11-5+
InChIKeyBNLNUIOVSNHCPI-VZUCSPMQSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-2-chloroacetamide
CID 17325387
4-amino-N-(4-aminophenyl)butanamide
CID 90105668
1-(4-aminophenyl)-3-prop-2-enylurea
CID 47002126
N-(4-aminophenyl)-2-methylsulfonylacetamide
CID 61025052
N-[4-(4-aminophenyl)phenyl]pentanamide
CID 90390735
(Z)-N-(5-amino-2-pyridinyl)-3-ethenylhept-3-enamide;methanamine
CID 155597446
(2E,3E)-3-[[4-(4-aminophenoxy)phenyl]carbamoyl]-2-prop-2-enylidenehexa-3,5-dienoic acid
CID 155313818
N-(4-aminophenyl)-4-methylsulfinylbutanamide
CID 61288283
2-[[2-(4-aminoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62924176
N-(4-aminophenyl)-2-[ethyl(methyl)amino]acetamide
CID 43263037
2-(4-aminophenyl)-N-(4-methylphenyl)acetamide
CID 16782162
(3Z)-3-ethenyl-N-(methylcarbamothioyl)hexa-3,5-dienamide
CID 143768607

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(4-aminophenyl)-3-ethenylhexa-3,5-dienamide?
The IUPAC name of (3Z)-N-(4-aminophenyl)-3-ethenylhexa-3,5-dienamide (CID 143113299) is (3Z)-N-(4-aminophenyl)-3-ethenylhexa-3,5-dienamide.
What is the SMILES notation for (3Z)-N-(4-aminophenyl)-3-ethenylhexa-3,5-dienamide?
The canonical SMILES for (3Z)-N-(4-aminophenyl)-3-ethenylhexa-3,5-dienamide is C=C/C=C(\C=C)CC(=O)Nc1ccc(N)cc1.
What is the InChIKey of (3Z)-N-(4-aminophenyl)-3-ethenylhexa-3,5-dienamide?
The InChIKey is BNLNUIOVSNHCPI-VZUCSPMQSA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-5-11(4-2)10-14(17)16-13-8-6-12(15)7-9-13/h3-9H,1-2,10,15H2,(H,16,17)/b11-5+.
What are the key properties of (3Z)-N-(4-aminophenyl)-3-ethenylhexa-3,5-dienamide?
(3Z)-N-(4-aminophenyl)-3-ethenylhexa-3,5-dienamide has a molecular weight of 228.29 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(4-aminophenyl)-3-ethenylhexa-3,5-dienamide is sourced from PubChem (CID 143113299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).