2-(2-acetamidophenyl)-N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]acetamide

C14H18N4O2 — CID 144928481

IUPAC2-(2-acetamidophenyl)-N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]acetamide
SMILESCC(=O)Nc1ccccc1CC(=O)N/C(N)=C/C=C\N
InChIInChI=1S/C14H18N4O2/c1-10(19)17-12-6-3-2-5-11(12)9-14(20)18-13(16)7-4-8-15/h2-8H,9,15-16H2,1H3,(H,17,19)(H,18,20)/b8-4-,13-7+
InChIKeyBXRUCHGHYBKMBH-UYPGYXLJSA-N
MW274.32 g/mol
LogP0.58
Rot. Bonds5

About 2-(2-acetamidophenyl)-N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]acetamide

2-(2-acetamidophenyl)-N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]acetamide (PubChem CID 144928481) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(2-acetamidophenyl)-N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]acetamide.

Molecular Properties

Compound Name2-(2-acetamidophenyl)-N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]acetamide
PubChem CID144928481
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-(2-acetamidophenyl)-N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]acetamide
SMILESCC(=O)Nc1ccccc1CC(=O)N/C(N)=C/C=C\N
InChIInChI=1S/C14H18N4O2/c1-10(19)17-12-6-3-2-5-11(12)9-14(20)18-13(16)7-4-8-15/h2-8H,9,15-16H2,1H3,(H,17,19)(H,18,20)/b8-4-,13-7+
InChIKeyBXRUCHGHYBKMBH-UYPGYXLJSA-N
XLogP0.58
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylprop-2-enyl)phenyl]acetamide
CID 102600118
2-(2-acetamidophenyl)ethanethioic S-acid
CID 21276599
ethane;N-[2-(hydroxymethyl)phenyl]acetamide
CID 91162619
N-[2-(hydroxymethyl)phenyl]acetamide;hydrochloride
CID 142950008
N-[2-[(tert-butylamino)methyl]phenyl]acetamide
CID 66385215
(2-acetamidophenyl)methanesulfinic acid
CID 135349764
N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
N-[2-[(2-acetamidophenyl)methylsulfonylmethyl]phenyl]acetamide
CID 154198848
ethane;N-(2-propylphenyl)acetamide
CID 142804217
2-(2-acetamidophenyl)-N-[(3R)-3-hydroxy-4-methylpentyl]acetamide
CID 124889974
N-(2-prop-2-ynylphenyl)acetamide
CID 57178754
N-[2-[(dimethylamino)methyl]phenyl]acetamide;ethane
CID 142252989

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenyl)-N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]acetamide?
The IUPAC name of 2-(2-acetamidophenyl)-N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]acetamide (CID 144928481) is 2-(2-acetamidophenyl)-N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]acetamide.
What is the SMILES notation for 2-(2-acetamidophenyl)-N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]acetamide?
The canonical SMILES for 2-(2-acetamidophenyl)-N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]acetamide is CC(=O)Nc1ccccc1CC(=O)N/C(N)=C/C=C\N.
What is the InChIKey of 2-(2-acetamidophenyl)-N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]acetamide?
The InChIKey is BXRUCHGHYBKMBH-UYPGYXLJSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10(19)17-12-6-3-2-5-11(12)9-14(20)18-13(16)7-4-8-15/h2-8H,9,15-16H2,1H3,(H,17,19)(H,18,20)/b8-4-,13-7+.
What are the key properties of 2-(2-acetamidophenyl)-N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]acetamide?
2-(2-acetamidophenyl)-N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]acetamide has a molecular weight of 274.32 g/mol, XLogP of 0.58, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenyl)-N-[(1E,3Z)-1,4-diaminobuta-1,3-dienyl]acetamide is sourced from PubChem (CID 144928481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).