N-[4-(4-phenylmethoxyphenyl)but-3-enyl]acetamide

C19H21NO2 — CID 170489660

IUPACN-[4-(4-phenylmethoxyphenyl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H21NO2/c1-16(21)20-14-6-5-7-17-10-12-19(13-11-17)22-15-18-8-3-2-4-9-18/h2-5,7-13H,6,14-15H2,1H3,(H,20,21)
InChIKeyYJYJHMYLCRVHCZ-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.81
Rot. Bonds7

About N-[4-(4-phenylmethoxyphenyl)but-3-enyl]acetamide

N-[4-(4-phenylmethoxyphenyl)but-3-enyl]acetamide (PubChem CID 170489660) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[4-(4-phenylmethoxyphenyl)but-3-enyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-phenylmethoxyphenyl)but-3-enyl]acetamide
PubChem CID170489660
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-[4-(4-phenylmethoxyphenyl)but-3-enyl]acetamide
SMILESCC(=O)NCCC=Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H21NO2/c1-16(21)20-14-6-5-7-17-10-12-19(13-11-17)22-15-18-8-3-2-4-9-18/h2-5,7-13H,6,14-15H2,1H3,(H,20,21)
InChIKeyYJYJHMYLCRVHCZ-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-ethylphenyl)but-3-enyl]acetamide
CID 170488200
N-[4-[4-(chloromethyl)phenyl]but-3-enyl]acetamide
CID 170488172
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
N-[4-(4-sulfanylphenyl)but-3-enyl]acetamide
CID 170488071
(2R)-3-methyl-2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]butanoic acid
CID 122124269
benzyl N-[4-(4-propylphenyl)but-3-enyl]carbamate
CID 170493851
benzyl N-[4-(6-acetyl-3-pyridinyl)but-3-enyl]carbamate
CID 170494132
N-[(Z)-5-(4-methoxyphenyl)pent-4-enyl]acetamide
CID 10331554
3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride
CID 86156285
3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 139936599
(E)-N-[2-(4-methylphenoxy)ethyl]-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 19175905
(2R)-4-methyl-2-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]pentanoic acid
CID 122037396

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-phenylmethoxyphenyl)but-3-enyl]acetamide?
The IUPAC name of N-[4-(4-phenylmethoxyphenyl)but-3-enyl]acetamide (CID 170489660) is N-[4-(4-phenylmethoxyphenyl)but-3-enyl]acetamide.
What is the SMILES notation for N-[4-(4-phenylmethoxyphenyl)but-3-enyl]acetamide?
The canonical SMILES for N-[4-(4-phenylmethoxyphenyl)but-3-enyl]acetamide is CC(=O)NCCC=Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-[4-(4-phenylmethoxyphenyl)but-3-enyl]acetamide?
The InChIKey is YJYJHMYLCRVHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-16(21)20-14-6-5-7-17-10-12-19(13-11-17)22-15-18-8-3-2-4-9-18/h2-5,7-13H,6,14-15H2,1H3,(H,20,21).
What are the key properties of N-[4-(4-phenylmethoxyphenyl)but-3-enyl]acetamide?
N-[4-(4-phenylmethoxyphenyl)but-3-enyl]acetamide has a molecular weight of 295.38 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-phenylmethoxyphenyl)but-3-enyl]acetamide is sourced from PubChem (CID 170489660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).