N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide

C21H26N2O3 — CID 43039190

IUPACN-[(4-ethoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide
SMILESCCOc1ccc(CN(C)C(=O)CCNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C21H26N2O3/c1-3-26-19-11-9-18(10-12-19)16-23(2)21(25)13-14-22-20(24)15-17-7-5-4-6-8-17/h4-12H,3,13-16H2,1-2H3,(H,22,24)
InChIKeyJTLVVRJDOUQODR-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.79
Rot. Bonds9

About N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide

N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide (PubChem CID 43039190) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide
PubChem CID43039190
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[(4-ethoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide
SMILESCCOc1ccc(CN(C)C(=O)CCNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C21H26N2O3/c1-3-26-19-11-9-18(10-12-19)16-23(2)21(25)13-14-22-20(24)15-17-7-5-4-6-8-17/h4-12H,3,13-16H2,1-2H3,(H,22,24)
InChIKeyJTLVVRJDOUQODR-UHFFFAOYSA-N
XLogP2.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylamino)-N-[(4-ethoxyphenyl)methyl]-N-methylpropanamide
CID 60936867
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60936656
N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 110757113
N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]butanamide
CID 108573115
N-methyl-3-[(2-phenylacetyl)amino]-N-(2-pyrimidin-2-ylethyl)propanamide
CID 138013236
N-(4-ethoxyphenyl)-4-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide
CID 55486447
3-[[benzyl(methyl)carbamoyl]amino]-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 56540431
N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 108539279
N-[(4-ethoxyphenyl)methyl]-4-hydroxy-N-methylbutanamide
CID 79017080
3-(N-acetyl-4-ethoxyanilino)-N-benzyl-N-methylpropanamide
CID 113129400
N-[4-[(4-ethoxyphenyl)methyl-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 134037247
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2-methylphenyl)acetamide
CID 78788525

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide (CID 43039190) is N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide is CCOc1ccc(CN(C)C(=O)CCNC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide?
The InChIKey is JTLVVRJDOUQODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-26-19-11-9-18(10-12-19)16-23(2)21(25)13-14-22-20(24)15-17-7-5-4-6-8-17/h4-12H,3,13-16H2,1-2H3,(H,22,24).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide?
N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide has a molecular weight of 354.45 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 43039190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).