1-phenyl-3-(4-propoxyanilino)but-3-en-1-one

C19H21NO2 — CID 2289396

IUPAC1-phenyl-3-(4-propoxyanilino)but-3-en-1-one
SMILESC=C(CC(=O)c1ccccc1)Nc1ccc(OCCC)cc1
InChIInChI=1S/C19H21NO2/c1-3-13-22-18-11-9-17(10-12-18)20-15(2)14-19(21)16-7-5-4-6-8-16/h4-12,20H,2-3,13-14H2,1H3
InChIKeyKYZWWVVZDAUREP-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.67
Rot. Bonds8

About 1-phenyl-3-(4-propoxyanilino)but-3-en-1-one

1-phenyl-3-(4-propoxyanilino)but-3-en-1-one (PubChem CID 2289396) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-phenyl-3-(4-propoxyanilino)but-3-en-1-one.

Molecular Properties

Compound Name1-phenyl-3-(4-propoxyanilino)but-3-en-1-one
PubChem CID2289396
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-phenyl-3-(4-propoxyanilino)but-3-en-1-one
SMILESC=C(CC(=O)c1ccccc1)Nc1ccc(OCCC)cc1
InChIInChI=1S/C19H21NO2/c1-3-13-22-18-11-9-17(10-12-18)20-15(2)14-19(21)16-7-5-4-6-8-16/h4-12,20H,2-3,13-14H2,1H3
InChIKeyKYZWWVVZDAUREP-UHFFFAOYSA-N
XLogP4.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
3-oxo-3-(4-propoxyphenyl)propanoic acid
CID 170886903
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
N-(4-anilinophenyl)-4-propoxybenzamide
CID 4938354
N-benzyl-N'-(4-propoxyphenyl)oxamide
CID 124624786
N-benzyl-4-[(4-propoxybenzoyl)amino]benzamide
CID 28639944
4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide
CID 110493382
2-(4-dodecoxyanilino)-N-phenylprop-2-enamide;ethane
CID 91513037
2-(2-phenoxyethoxy)-N-(4-propoxyphenyl)benzamide
CID 4954419
[2-(4-acetamidophenyl)-2-oxoethyl] 4-propoxybenzoate
CID 7211682
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(4-propoxyanilino)but-3-en-1-one?
The IUPAC name of 1-phenyl-3-(4-propoxyanilino)but-3-en-1-one (CID 2289396) is 1-phenyl-3-(4-propoxyanilino)but-3-en-1-one.
What is the SMILES notation for 1-phenyl-3-(4-propoxyanilino)but-3-en-1-one?
The canonical SMILES for 1-phenyl-3-(4-propoxyanilino)but-3-en-1-one is C=C(CC(=O)c1ccccc1)Nc1ccc(OCCC)cc1.
What is the InChIKey of 1-phenyl-3-(4-propoxyanilino)but-3-en-1-one?
The InChIKey is KYZWWVVZDAUREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-3-13-22-18-11-9-17(10-12-18)20-15(2)14-19(21)16-7-5-4-6-8-16/h4-12,20H,2-3,13-14H2,1H3.
What are the key properties of 1-phenyl-3-(4-propoxyanilino)but-3-en-1-one?
1-phenyl-3-(4-propoxyanilino)but-3-en-1-one has a molecular weight of 295.38 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(4-propoxyanilino)but-3-en-1-one is sourced from PubChem (CID 2289396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).