2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-ethyl-N-phenylacetamide

C21H26N2O3 — CID 113164876

IUPAC2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CN(CCc1ccc(OC)cc1)C(C)=O)c1ccccc1
InChIInChI=1S/C21H26N2O3/c1-4-23(19-8-6-5-7-9-19)21(25)16-22(17(2)24)15-14-18-10-12-20(26-3)13-11-18/h5-13H,4,14-16H2,1-3H3
InChIKeyMDDQOAHUDRSCGC-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.14
Rot. Bonds8

About 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-ethyl-N-phenylacetamide

2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-ethyl-N-phenylacetamide (PubChem CID 113164876) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-ethyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-ethyl-N-phenylacetamide
PubChem CID113164876
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-ethyl-N-phenylacetamide
SMILESCCN(C(=O)CN(CCc1ccc(OC)cc1)C(C)=O)c1ccccc1
InChIInChI=1S/C21H26N2O3/c1-4-23(19-8-6-5-7-9-19)21(25)16-22(17(2)24)15-14-18-10-12-20(26-3)13-11-18/h5-13H,4,14-16H2,1-3H3
InChIKeyMDDQOAHUDRSCGC-UHFFFAOYSA-N
XLogP3.14
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-ethyl-N-phenylacetamide
CID 113166010
N-ethyl-2-[2-(4-methoxyphenyl)ethylamino]-N-phenylacetamide
CID 109001184
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-ethyl-N-phenylpropanamide
CID 113122390
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-1-phenylurea
CID 108901911
N-ethyl-2-(4-methoxyphenoxy)-N-phenylacetamide
CID 922695
2-[acetyl(2-phenylethyl)amino]-N,N-dipropylacetamide
CID 113164026
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-methyl-N-phenylacetamide
CID 113165999
N-[2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]ethyl]benzamide
CID 113055959
3-(N-acetyl-2,4-dimethoxyanilino)-N-ethyl-N-phenylpropanamide
CID 113130135
3-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-benzyl-N-propan-2-ylpropanamide
CID 113121500
2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-benzyl-N-ethylacetamide
CID 113165331
N-(methoxymethyl)-N-(2-phenylethyl)acetamide
CID 102037583

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-ethyl-N-phenylacetamide?
The IUPAC name of 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-ethyl-N-phenylacetamide (CID 113164876) is 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-ethyl-N-phenylacetamide.
What is the SMILES notation for 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-ethyl-N-phenylacetamide?
The canonical SMILES for 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-ethyl-N-phenylacetamide is CCN(C(=O)CN(CCc1ccc(OC)cc1)C(C)=O)c1ccccc1.
What is the InChIKey of 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-ethyl-N-phenylacetamide?
The InChIKey is MDDQOAHUDRSCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-23(19-8-6-5-7-9-19)21(25)16-22(17(2)24)15-14-18-10-12-20(26-3)13-11-18/h5-13H,4,14-16H2,1-3H3.
What are the key properties of 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-ethyl-N-phenylacetamide?
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-ethyl-N-phenylacetamide has a molecular weight of 354.45 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-ethyl-N-phenylacetamide is sourced from PubChem (CID 113164876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).