2-[benzyl(prop-2-enyl)amino]-N-(4-ethoxyphenyl)acetamide

C20H24N2O2 — CID 35164000

IUPAC2-[benzyl(prop-2-enyl)amino]-N-(4-ethoxyphenyl)acetamide
SMILESC=CCN(CC(=O)Nc1ccc(OCC)cc1)Cc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-3-14-22(15-17-8-6-5-7-9-17)16-20(23)21-18-10-12-19(13-11-18)24-4-2/h3,5-13H,1,4,14-16H2,2H3,(H,21,23)
InChIKeyCYVVJDQPZKRPON-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.71
Rot. Bonds9

About 2-[benzyl(prop-2-enyl)amino]-N-(4-ethoxyphenyl)acetamide

2-[benzyl(prop-2-enyl)amino]-N-(4-ethoxyphenyl)acetamide (PubChem CID 35164000) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[benzyl(prop-2-enyl)amino]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(prop-2-enyl)amino]-N-(4-ethoxyphenyl)acetamide
PubChem CID35164000
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-[benzyl(prop-2-enyl)amino]-N-(4-ethoxyphenyl)acetamide
SMILESC=CCN(CC(=O)Nc1ccc(OCC)cc1)Cc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-3-14-22(15-17-8-6-5-7-9-17)16-20(23)21-18-10-12-19(13-11-18)24-4-2/h3,5-13H,1,4,14-16H2,2H3,(H,21,23)
InChIKeyCYVVJDQPZKRPON-UHFFFAOYSA-N
XLogP3.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl(prop-2-enyl)amino]-N-(4-ethylphenyl)acetamide
CID 55598658
2-[2-aminoethyl(benzyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 113442235
2-[[2-(4-ethoxyanilino)-2-oxoethyl]-(2-phenylethyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 5042527
N-benzyl-2-[(4-ethoxyphenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)acetamide
CID 3928097
methyl 2-[benzyl(prop-2-enyl)amino]acetate
CID 10798914
methyl 2-[benzyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60565339
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817
2-[bis(2-hydroxyethyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 60686420
3-[[2-(4-ethoxyanilino)-2-oxoethyl]-ethylamino]propanoic acid
CID 61011178
1-benzyl-3-(4-ethoxyphenyl)-1-methylthiourea
CID 4666510
N-(4-ethoxyphenyl)-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 32510592
2-[benzhydryl(methyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 8730307

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(prop-2-enyl)amino]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[benzyl(prop-2-enyl)amino]-N-(4-ethoxyphenyl)acetamide (CID 35164000) is 2-[benzyl(prop-2-enyl)amino]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[benzyl(prop-2-enyl)amino]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[benzyl(prop-2-enyl)amino]-N-(4-ethoxyphenyl)acetamide is C=CCN(CC(=O)Nc1ccc(OCC)cc1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(prop-2-enyl)amino]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is CYVVJDQPZKRPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-14-22(15-17-8-6-5-7-9-17)16-20(23)21-18-10-12-19(13-11-18)24-4-2/h3,5-13H,1,4,14-16H2,2H3,(H,21,23).
What are the key properties of 2-[benzyl(prop-2-enyl)amino]-N-(4-ethoxyphenyl)acetamide?
2-[benzyl(prop-2-enyl)amino]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 324.42 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(prop-2-enyl)amino]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 35164000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).