1-[3-[[(3E)-4-phenylbuta-1,3-dien-2-yl]amino]phenyl]propan-1-one

C19H19NO — CID 89219421

IUPAC1-[3-[[(3E)-4-phenylbuta-1,3-dien-2-yl]amino]phenyl]propan-1-one
SMILESC=C(/C=C/c1ccccc1)Nc1cccc(C(=O)CC)c1
InChIInChI=1S/C19H19NO/c1-3-19(21)17-10-7-11-18(14-17)20-15(2)12-13-16-8-5-4-6-9-16/h4-14,20H,2-3H2,1H3/b13-12+
InChIKeyXGKYBYAZUQJEGO-OUKQBFOZSA-N
MW277.37 g/mol
LogP4.92
Rot. Bonds6

About 1-[3-[[(3E)-4-phenylbuta-1,3-dien-2-yl]amino]phenyl]propan-1-one

1-[3-[[(3E)-4-phenylbuta-1,3-dien-2-yl]amino]phenyl]propan-1-one (PubChem CID 89219421) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[3-[[(3E)-4-phenylbuta-1,3-dien-2-yl]amino]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-[[(3E)-4-phenylbuta-1,3-dien-2-yl]amino]phenyl]propan-1-one
PubChem CID89219421
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name1-[3-[[(3E)-4-phenylbuta-1,3-dien-2-yl]amino]phenyl]propan-1-one
SMILESC=C(/C=C/c1ccccc1)Nc1cccc(C(=O)CC)c1
InChIInChI=1S/C19H19NO/c1-3-19(21)17-10-7-11-18(14-17)20-15(2)12-13-16-8-5-4-6-9-16/h4-14,20H,2-3H2,1H3/b13-12+
InChIKeyXGKYBYAZUQJEGO-OUKQBFOZSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(propanoylamino)phenyl]prop-2-enoic acid
CID 76907771
(E)-3-phenyl-N-[3-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-enamide
CID 5286756
1-benzyl-3-(3-propanoylphenyl)urea
CID 141242249
methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]benzoate
CID 732141
2-methyl-N-[3-[3-[4-[3-[3-(2-methylprop-2-enoylamino)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]prop-2-enamide
CID 2832522
N-[3-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]propanamide
CID 93002866
N-[3-[(Z)-3-[4-[(Z)-3-(3-acetamidophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]phenyl]acetamide
CID 21159287
N-[3-[3-(3-benzamidophenyl)-3-oxoprop-1-enyl]phenyl]benzamide
CID 2832490
N-(3-acetylphenyl)propanamide
CID 903063
N-(3-ethoxypropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 55801583
1-phenyl(111C)propan-1-one
CID 11159350
(E)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-phenylprop-2-enamide
CID 17122405

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(3E)-4-phenylbuta-1,3-dien-2-yl]amino]phenyl]propan-1-one?
The IUPAC name of 1-[3-[[(3E)-4-phenylbuta-1,3-dien-2-yl]amino]phenyl]propan-1-one (CID 89219421) is 1-[3-[[(3E)-4-phenylbuta-1,3-dien-2-yl]amino]phenyl]propan-1-one.
What is the SMILES notation for 1-[3-[[(3E)-4-phenylbuta-1,3-dien-2-yl]amino]phenyl]propan-1-one?
The canonical SMILES for 1-[3-[[(3E)-4-phenylbuta-1,3-dien-2-yl]amino]phenyl]propan-1-one is C=C(/C=C/c1ccccc1)Nc1cccc(C(=O)CC)c1.
What is the InChIKey of 1-[3-[[(3E)-4-phenylbuta-1,3-dien-2-yl]amino]phenyl]propan-1-one?
The InChIKey is XGKYBYAZUQJEGO-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H19NO/c1-3-19(21)17-10-7-11-18(14-17)20-15(2)12-13-16-8-5-4-6-9-16/h4-14,20H,2-3H2,1H3/b13-12+.
What are the key properties of 1-[3-[[(3E)-4-phenylbuta-1,3-dien-2-yl]amino]phenyl]propan-1-one?
1-[3-[[(3E)-4-phenylbuta-1,3-dien-2-yl]amino]phenyl]propan-1-one has a molecular weight of 277.37 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(3E)-4-phenylbuta-1,3-dien-2-yl]amino]phenyl]propan-1-one is sourced from PubChem (CID 89219421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).