N-(4-amino-3-methoxyphenyl)hexa-2,4-dienamide

C13H16N2O2 — CID 61241779

IUPACN-(4-amino-3-methoxyphenyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)Nc1ccc(N)c(OC)c1
InChIInChI=1S/C13H16N2O2/c1-3-4-5-6-13(16)15-10-7-8-11(14)12(9-10)17-2/h3-9H,14H2,1-2H3,(H,15,16)
InChIKeyOSKRKNABHRMUQH-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.35
Rot. Bonds4

About N-(4-amino-3-methoxyphenyl)hexa-2,4-dienamide

N-(4-amino-3-methoxyphenyl)hexa-2,4-dienamide (PubChem CID 61241779) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(4-amino-3-methoxyphenyl)hexa-2,4-dienamide.

Molecular Properties

Compound NameN-(4-amino-3-methoxyphenyl)hexa-2,4-dienamide
PubChem CID61241779
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(4-amino-3-methoxyphenyl)hexa-2,4-dienamide
SMILESCC=CC=CC(=O)Nc1ccc(N)c(OC)c1
InChIInChI=1S/C13H16N2O2/c1-3-4-5-6-13(16)15-10-7-8-11(14)12(9-10)17-2/h3-9H,14H2,1-2H3,(H,15,16)
InChIKeyOSKRKNABHRMUQH-UHFFFAOYSA-N
XLogP2.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-methoxyphenyl)but-2-enamide
CID 74885559
3-(4-amino-3-methoxyphenyl)-1,1-dimethylurea
CID 79154526
N-(2-fluoro-4,5-dimethoxyphenyl)hexa-2,4-dienamide
CID 72688712
(2E,4E)-N-[3-[(4-bromophenyl)sulfamoyl]-4-methoxyphenyl]hexa-2,4-dienamide
CID 35745347
(2E,4E)-N-[4-(4-chloro-2-methoxyphenoxy)phenyl]hexa-2,4-dienamide
CID 46930514
(2E,4E)-N-(2-methoxyphenyl)hexa-2,4-dienamide
CID 17358788
N-(4-amino-3-methoxyphenyl)prop-2-ynamide
CID 61241972
N-(4-amino-3-methoxyphenyl)but-3-enamide
CID 62677990
(2E,4E)-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]hexa-2,4-dienamide
CID 60536120
1-(4-amino-3-methoxyphenyl)-3-(4-chlorophenyl)urea
CID 61240826
(2E,4E)-N-(3-bromo-4-methylphenyl)hexa-2,4-dienamide
CID 55027801
(2E,4E)-N-(4-fluoro-2-methoxyphenyl)hexa-2,4-dienamide
CID 33068846

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methoxyphenyl)hexa-2,4-dienamide?
The IUPAC name of N-(4-amino-3-methoxyphenyl)hexa-2,4-dienamide (CID 61241779) is N-(4-amino-3-methoxyphenyl)hexa-2,4-dienamide.
What is the SMILES notation for N-(4-amino-3-methoxyphenyl)hexa-2,4-dienamide?
The canonical SMILES for N-(4-amino-3-methoxyphenyl)hexa-2,4-dienamide is CC=CC=CC(=O)Nc1ccc(N)c(OC)c1.
What is the InChIKey of N-(4-amino-3-methoxyphenyl)hexa-2,4-dienamide?
The InChIKey is OSKRKNABHRMUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-4-5-6-13(16)15-10-7-8-11(14)12(9-10)17-2/h3-9H,14H2,1-2H3,(H,15,16).
What are the key properties of N-(4-amino-3-methoxyphenyl)hexa-2,4-dienamide?
N-(4-amino-3-methoxyphenyl)hexa-2,4-dienamide has a molecular weight of 232.28 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methoxyphenyl)hexa-2,4-dienamide is sourced from PubChem (CID 61241779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).