2-[methyl-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]amino]-N-(4-methylphenyl)acetamide

C23H29N3O3 — CID 9167533

IUPAC2-[methyl-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]amino]-N-(4-methylphenyl)acetamide
SMILESC=CCOc1ccc(CN(C)CC(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C23H29N3O3/c1-5-14-29-21-12-8-19(9-13-21)15-25(3)17-23(28)26(4)16-22(27)24-20-10-6-18(2)7-11-20/h5-13H,1,14-17H2,2-4H3,(H,24,27)
InChIKeyIUPQEIHZJHLKJJ-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.09
Rot. Bonds10

About 2-[methyl-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]amino]-N-(4-methylphenyl)acetamide

2-[methyl-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]amino]-N-(4-methylphenyl)acetamide (PubChem CID 9167533) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-[methyl-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]amino]-N-(4-methylphenyl)acetamide
PubChem CID9167533
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-[methyl-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]amino]-N-(4-methylphenyl)acetamide
SMILESC=CCOc1ccc(CN(C)CC(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C23H29N3O3/c1-5-14-29-21-12-8-19(9-13-21)15-25(3)17-23(28)26(4)16-22(27)24-20-10-6-18(2)7-11-20/h5-13H,1,14-17H2,2-4H3,(H,24,27)
InChIKeyIUPQEIHZJHLKJJ-UHFFFAOYSA-N
XLogP3.09
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetyl]amino]-N-(4-methylphenyl)acetamide
CID 9028197
2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-(4-nitrophenyl)acetamide
CID 9168252
2-[methyl-[2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
CID 40696364
N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide
CID 2527490
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(4-methylphenoxy)propanamide
CID 9492849
ethyl N-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]carbamate
CID 9167602
N-(2,6-dimethylphenyl)-2-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]-methylamino]acetamide
CID 8695010
N-(4-methoxyphenyl)-2-[methyl-[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 9438276
4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952484
methyl 4-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 8799418
2-[methyl-[2-(4-methylsulfanylphenoxy)acetyl]amino]-N-(4-methylphenyl)acetamide
CID 7893750
2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9168228

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[methyl-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]amino]-N-(4-methylphenyl)acetamide (CID 9167533) is 2-[methyl-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]amino]-N-(4-methylphenyl)acetamide is C=CCOc1ccc(CN(C)CC(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 2-[methyl-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]amino]-N-(4-methylphenyl)acetamide?
The InChIKey is IUPQEIHZJHLKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-5-14-29-21-12-8-19(9-13-21)15-25(3)17-23(28)26(4)16-22(27)24-20-10-6-18(2)7-11-20/h5-13H,1,14-17H2,2-4H3,(H,24,27).
What are the key properties of 2-[methyl-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]amino]-N-(4-methylphenyl)acetamide?
2-[methyl-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]amino]-N-(4-methylphenyl)acetamide has a molecular weight of 395.50 g/mol, XLogP of 3.09, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetyl]amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 9167533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).