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

C20H24N2O — CID 55598658

IUPAC2-[benzyl(prop-2-enyl)amino]-N-(4-ethylphenyl)acetamide
SMILESC=CCN(CC(=O)Nc1ccc(CC)cc1)Cc1ccccc1
InChIInChI=1S/C20H24N2O/c1-3-14-22(15-18-8-6-5-7-9-18)16-20(23)21-19-12-10-17(4-2)11-13-19/h3,5-13H,1,4,14-16H2,2H3,(H,21,23)
InChIKeyBKVRPNOCVDTITL-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.88
Rot. Bonds8

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

2-[benzyl(prop-2-enyl)amino]-N-(4-ethylphenyl)acetamide (PubChem CID 55598658) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-[benzyl(prop-2-enyl)amino]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(prop-2-enyl)amino]-N-(4-ethylphenyl)acetamide
PubChem CID55598658
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name2-[benzyl(prop-2-enyl)amino]-N-(4-ethylphenyl)acetamide
SMILESC=CCN(CC(=O)Nc1ccc(CC)cc1)Cc1ccccc1
InChIInChI=1S/C20H24N2O/c1-3-14-22(15-18-8-6-5-7-9-18)16-20(23)21-19-12-10-17(4-2)11-13-19/h3,5-13H,1,4,14-16H2,2H3,(H,21,23)
InChIKeyBKVRPNOCVDTITL-UHFFFAOYSA-N
XLogP3.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethoxyphenyl)acetamide
CID 35164000
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817
methyl 2-[benzyl(prop-2-enyl)amino]acetate
CID 10798914
2-(diethylamino)-N-(4-ethylphenyl)acetamide;hydrochloride
CID 3026065
N-(3-ethylphenyl)-2-[2-hydroxyethyl(prop-2-enyl)amino]acetamide
CID 111423165
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 108998932
4-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 54817927
4-[[bis(prop-2-enyl)amino]methyl]-N-phenylbenzamide
CID 78821935
2-[benzyl(prop-2-enyl)amino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 47077907
2-[[2-[benzyl(prop-2-enyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 35165066
N-[4-[[benzyl(propyl)amino]methyl]phenyl]-2-phenylacetamide
CID 166633000

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(prop-2-enyl)amino]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[benzyl(prop-2-enyl)amino]-N-(4-ethylphenyl)acetamide (CID 55598658) is 2-[benzyl(prop-2-enyl)amino]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[benzyl(prop-2-enyl)amino]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[benzyl(prop-2-enyl)amino]-N-(4-ethylphenyl)acetamide is C=CCN(CC(=O)Nc1ccc(CC)cc1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(prop-2-enyl)amino]-N-(4-ethylphenyl)acetamide?
The InChIKey is BKVRPNOCVDTITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-3-14-22(15-18-8-6-5-7-9-18)16-20(23)21-19-12-10-17(4-2)11-13-19/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-ethylphenyl)acetamide?
2-[benzyl(prop-2-enyl)amino]-N-(4-ethylphenyl)acetamide has a molecular weight of 308.43 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(prop-2-enyl)amino]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 55598658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).