3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-ethyl-N-phenylpropanamide

C22H28N2O4 — CID 113122390

IUPAC3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)CCN(CCOc1ccc(OC)cc1)C(C)=O)c1ccccc1
InChIInChI=1S/C22H28N2O4/c1-4-24(19-8-6-5-7-9-19)22(26)14-15-23(18(2)25)16-17-28-21-12-10-20(27-3)11-13-21/h5-13H,4,14-17H2,1-3H3
InChIKeyKAQRYGFVYUZOQB-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.37
Rot. Bonds10

About 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-ethyl-N-phenylpropanamide

3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-ethyl-N-phenylpropanamide (PubChem CID 113122390) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-ethyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-ethyl-N-phenylpropanamide
PubChem CID113122390
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)CCN(CCOc1ccc(OC)cc1)C(C)=O)c1ccccc1
InChIInChI=1S/C22H28N2O4/c1-4-24(19-8-6-5-7-9-19)22(26)14-15-23(18(2)25)16-17-28-21-12-10-20(27-3)11-13-21/h5-13H,4,14-17H2,1-3H3
InChIKeyKAQRYGFVYUZOQB-UHFFFAOYSA-N
XLogP3.37
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-ethyl-N-phenylacetamide
CID 113166010
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-methyl-N-phenylacetamide
CID 113165999
N-ethyl-2-(4-methoxyphenoxy)-N-phenylacetamide
CID 922695
[2-(N-ethylanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 2375807
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-ethyl-N-phenylacetamide
CID 113164876
3-(N-acetyl-2,4-dimethoxyanilino)-N-ethyl-N-phenylpropanamide
CID 113130135
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-propan-2-ylpropanamide
CID 113122339
N-ethyl-5-(4-methoxyphenyl)-5-oxo-N-phenylpentanamide
CID 110298239
3-(N-acetylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113123406
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-cycloheptylpropanamide
CID 113122371
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(2,6-dimethylphenyl)propanamide
CID 113122386
N-[2-(ethylsulfonylamino)ethyl]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 113056540

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-ethyl-N-phenylpropanamide?
The IUPAC name of 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-ethyl-N-phenylpropanamide (CID 113122390) is 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-ethyl-N-phenylpropanamide.
What is the SMILES notation for 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-ethyl-N-phenylpropanamide?
The canonical SMILES for 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-ethyl-N-phenylpropanamide is CCN(C(=O)CCN(CCOc1ccc(OC)cc1)C(C)=O)c1ccccc1.
What is the InChIKey of 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-ethyl-N-phenylpropanamide?
The InChIKey is KAQRYGFVYUZOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-4-24(19-8-6-5-7-9-19)22(26)14-15-23(18(2)25)16-17-28-21-12-10-20(27-3)11-13-21/h5-13H,4,14-17H2,1-3H3.
What are the key properties of 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-ethyl-N-phenylpropanamide?
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-ethyl-N-phenylpropanamide has a molecular weight of 384.48 g/mol, XLogP of 3.37, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-ethyl-N-phenylpropanamide is sourced from PubChem (CID 113122390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).