2-[[2-[benzyl(prop-2-enyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

C23H29N3O2 — CID 35165066

IUPAC2-[[2-[benzyl(prop-2-enyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESC=CCN(CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)Cc1ccccc1
InChIInChI=1S/C23H29N3O2/c1-5-11-26(15-20-9-7-6-8-10-20)16-22(28)24-14-21(27)25-23-18(3)12-17(2)13-19(23)4/h5-10,12-13H,1,11,14-16H2,2-4H3,(H,24,28)(H,25,27)
InChIKeyJNFQCXSAPHEEQM-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.35
Rot. Bonds9

About 2-[[2-[benzyl(prop-2-enyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[[2-[benzyl(prop-2-enyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 35165066) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[[2-[benzyl(prop-2-enyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[benzyl(prop-2-enyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID35165066
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-[[2-[benzyl(prop-2-enyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESC=CCN(CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)Cc1ccccc1
InChIInChI=1S/C23H29N3O2/c1-5-11-26(15-20-9-7-6-8-10-20)16-22(28)24-14-21(27)25-23-18(3)12-17(2)13-19(23)4/h5-10,12-13H,1,11,14-16H2,2-4H3,(H,24,28)(H,25,27)
InChIKeyJNFQCXSAPHEEQM-UHFFFAOYSA-N
XLogP3.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.35
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

2-[benzyl(prop-2-enyl)amino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 47077907
N-(2-chloro-4,6-dimethylphenyl)-2-[(2-fluorophenyl)methyl-prop-2-enylamino]acetamide
CID 55922691
2-[benzyl(prop-2-enyl)amino]-N-(4-ethylphenyl)acetamide
CID 55598658
methyl 2-[benzyl(prop-2-enyl)amino]acetate
CID 10798914
N-[2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 26714971
N'-benzyl-N'-propan-2-yl-N-(2,4,6-trimethylphenyl)propanediamide
CID 108951691
benzyl N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]carbamate
CID 78775976
2-[benzyl(prop-2-enyl)amino]-N-(4-ethoxyphenyl)acetamide
CID 35164000
2-(3-bromophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 112997253
methyl 2-[benzyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]acetate
CID 60565095
2-(4-phenylphenyl)-N-(2,4,6-trimethylphenyl)acetamide
CID 8760031
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenylacetamide
CID 7676704

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[benzyl(prop-2-enyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[benzyl(prop-2-enyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 35165066) is 2-[[2-[benzyl(prop-2-enyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[benzyl(prop-2-enyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[benzyl(prop-2-enyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is C=CCN(CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)Cc1ccccc1.
What is the InChIKey of 2-[[2-[benzyl(prop-2-enyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is JNFQCXSAPHEEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-5-11-26(15-20-9-7-6-8-10-20)16-22(28)24-14-21(27)25-23-18(3)12-17(2)13-19(23)4/h5-10,12-13H,1,11,14-16H2,2-4H3,(H,24,28)(H,25,27).
What are the key properties of 2-[[2-[benzyl(prop-2-enyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[2-[benzyl(prop-2-enyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 379.50 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[benzyl(prop-2-enyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 35165066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).