2-(1-phenylethylamino)-N-(4-prop-2-enoxyphenyl)acetamide

C19H22N2O2 — CID 54815005

IUPAC2-(1-phenylethylamino)-N-(4-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccc(NC(=O)CNC(C)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-3-13-23-18-11-9-17(10-12-18)21-19(22)14-20-15(2)16-7-5-4-6-8-16/h3-12,15,20H,1,13-14H2,2H3,(H,21,22)
InChIKeyJFAYOTODXAKPKQ-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.54
Rot. Bonds8

About 2-(1-phenylethylamino)-N-(4-prop-2-enoxyphenyl)acetamide

2-(1-phenylethylamino)-N-(4-prop-2-enoxyphenyl)acetamide (PubChem CID 54815005) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(1-phenylethylamino)-N-(4-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1-phenylethylamino)-N-(4-prop-2-enoxyphenyl)acetamide
PubChem CID54815005
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-(1-phenylethylamino)-N-(4-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccc(NC(=O)CNC(C)c2ccccc2)cc1
InChIInChI=1S/C19H22N2O2/c1-3-13-23-18-11-9-17(10-12-18)21-19(22)14-20-15(2)16-7-5-4-6-8-16/h3-12,15,20H,1,13-14H2,2H3,(H,21,22)
InChIKeyJFAYOTODXAKPKQ-UHFFFAOYSA-N
XLogP3.54
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898537
2-(1-phenylpropylamino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54845474
N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362
N-(4-heptoxyphenyl)-2-(1-phenylethylamino)acetamide
CID 54815004
2-[[(1S)-1-phenylethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8898156
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81368463
N-(3,4-dimethylphenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684031
N-(3,4-difluorophenyl)-2-(1-phenylethylamino)acetamide
CID 78289102
2-phenoxy-N-(4-prop-2-enoxyphenyl)propanamide
CID 4952534
N-(4-ethoxyphenyl)-2-(1-phenylpropylamino)acetamide
CID 54845214
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81354995
N-[4-[acetyl(methyl)amino]phenyl]-2-(1-phenylethylamino)acetamide
CID 54814802

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethylamino)-N-(4-prop-2-enoxyphenyl)acetamide?
The IUPAC name of 2-(1-phenylethylamino)-N-(4-prop-2-enoxyphenyl)acetamide (CID 54815005) is 2-(1-phenylethylamino)-N-(4-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for 2-(1-phenylethylamino)-N-(4-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for 2-(1-phenylethylamino)-N-(4-prop-2-enoxyphenyl)acetamide is C=CCOc1ccc(NC(=O)CNC(C)c2ccccc2)cc1.
What is the InChIKey of 2-(1-phenylethylamino)-N-(4-prop-2-enoxyphenyl)acetamide?
The InChIKey is JFAYOTODXAKPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-13-23-18-11-9-17(10-12-18)21-19(22)14-20-15(2)16-7-5-4-6-8-16/h3-12,15,20H,1,13-14H2,2H3,(H,21,22).
What are the key properties of 2-(1-phenylethylamino)-N-(4-prop-2-enoxyphenyl)acetamide?
2-(1-phenylethylamino)-N-(4-prop-2-enoxyphenyl)acetamide has a molecular weight of 310.40 g/mol, XLogP of 3.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethylamino)-N-(4-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 54815005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).