(2E,4E)-N-[4-(methylcarbamoylamino)phenyl]hexa-2,4-dienamide

C14H17N3O2 — CID 47143172

IUPAC(2E,4E)-N-[4-(methylcarbamoylamino)phenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(NC(=O)NC)cc1
InChIInChI=1S/C14H17N3O2/c1-3-4-5-6-13(18)16-11-7-9-12(10-8-11)17-14(19)15-2/h3-10H,1-2H3,(H,16,18)(H2,15,17,19)/b4-3+,6-5+
InChIKeyGRZYVRXOVGXHAC-VNKDHWASSA-N
MW259.31 g/mol
LogP2.51
Rot. Bonds4

About (2E,4E)-N-[4-(methylcarbamoylamino)phenyl]hexa-2,4-dienamide

(2E,4E)-N-[4-(methylcarbamoylamino)phenyl]hexa-2,4-dienamide (PubChem CID 47143172) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2E,4E)-N-[4-(methylcarbamoylamino)phenyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[4-(methylcarbamoylamino)phenyl]hexa-2,4-dienamide
PubChem CID47143172
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(2E,4E)-N-[4-(methylcarbamoylamino)phenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(NC(=O)NC)cc1
InChIInChI=1S/C14H17N3O2/c1-3-4-5-6-13(18)16-11-7-9-12(10-8-11)17-14(19)15-2/h3-10H,1-2H3,(H,16,18)(H2,15,17,19)/b4-3+,6-5+
InChIKeyGRZYVRXOVGXHAC-VNKDHWASSA-N
XLogP2.51
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-N-(4-acetylphenyl)hexa-2,4-dienamide
CID 26664564
4-[[(2Z,4E)-hexa-2,4-dienoyl]amino]benzoic acid
CID 99872148
(2E,4E)-N-[4-(2-methylpropanoylamino)phenyl]hexa-2,4-dienamide
CID 26679975
3-methyl-N-[4-(methylcarbamoylamino)phenyl]but-2-enamide
CID 47144064
(2E,4E)-N-(3-bromo-4-methylphenyl)hexa-2,4-dienamide
CID 55027801
(2E,4E)-N-[4-(phenylsulfamoyl)phenyl]hexa-2,4-dienamide
CID 17460381
(2E,4E)-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]hexa-2,4-dienamide
CID 9219955
(2Z,4E)-N-(3,4-dicyanophenyl)hexa-2,4-dienamide
CID 97377775
N-(4-bromo-3-fluorophenyl)hexa-2,4-dienamide
CID 77069173
4-[[(4E)-hexa-2,4-dienoyl]amino]-2-methylbenzoic acid
CID 154810509
(2E,4E)-N-[4-(butylsulfonylamino)phenyl]hexa-2,4-dienamide
CID 75533656
N-(4-amino-3-methoxyphenyl)hexa-2,4-dienamide
CID 61241779

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[4-(methylcarbamoylamino)phenyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[4-(methylcarbamoylamino)phenyl]hexa-2,4-dienamide (CID 47143172) is (2E,4E)-N-[4-(methylcarbamoylamino)phenyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[4-(methylcarbamoylamino)phenyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[4-(methylcarbamoylamino)phenyl]hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1ccc(NC(=O)NC)cc1.
What is the InChIKey of (2E,4E)-N-[4-(methylcarbamoylamino)phenyl]hexa-2,4-dienamide?
The InChIKey is GRZYVRXOVGXHAC-VNKDHWASSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-4-5-6-13(18)16-11-7-9-12(10-8-11)17-14(19)15-2/h3-10H,1-2H3,(H,16,18)(H2,15,17,19)/b4-3+,6-5+.
What are the key properties of (2E,4E)-N-[4-(methylcarbamoylamino)phenyl]hexa-2,4-dienamide?
(2E,4E)-N-[4-(methylcarbamoylamino)phenyl]hexa-2,4-dienamide has a molecular weight of 259.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[4-(methylcarbamoylamino)phenyl]hexa-2,4-dienamide is sourced from PubChem (CID 47143172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).