3-(3-acetylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

C21H26N2O4 — CID 109027780

IUPAC3-(3-acetylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCNc2cccc(C(C)=O)c2)cc1OC
InChIInChI=1S/C21H26N2O4/c1-15(24)17-5-4-6-18(14-17)22-12-10-21(25)23-11-9-16-7-8-19(26-2)20(13-16)27-3/h4-8,13-14,22H,9-12H2,1-3H3,(H,23,25)
InChIKeyPEGJMZAKBLJWDH-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.07
Rot. Bonds10

About 3-(3-acetylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

3-(3-acetylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide (PubChem CID 109027780) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-(3-acetylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-acetylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
PubChem CID109027780
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3-(3-acetylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCNc2cccc(C(C)=O)c2)cc1OC
InChIInChI=1S/C21H26N2O4/c1-15(24)17-5-4-6-18(14-17)22-12-10-21(25)23-11-9-16-7-8-19(26-2)20(13-16)27-3/h4-8,13-14,22H,9-12H2,1-3H3,(H,23,25)
InChIKeyPEGJMZAKBLJWDH-UHFFFAOYSA-N
XLogP3.07
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109040586
3-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 109033251
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,6-dimethylanilino)propanamide
CID 109027750
N-[2-(3-chlorophenyl)ethyl]-3-(3,4-dimethoxyanilino)propanamide
CID 109033247
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 18161532
3-(3-chloroanilino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 109028172
sodium;3-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]amino]benzamide;methanesulfonate
CID 23709772
3-(3-acetylanilino)-N-(3-phenylpropyl)propanamide
CID 109030863
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,3,4-trifluoroanilino)propanamide
CID 109027802
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide
CID 20969090
3-bromo-N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 26775759
methyl 3-[[3-[2-(3-chlorophenyl)ethylamino]-3-oxopropyl]amino]benzoate
CID 109033256

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(3-acetylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide (CID 109027780) is 3-(3-acetylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3-acetylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(3-acetylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)CCNc2cccc(C(C)=O)c2)cc1OC.
What is the InChIKey of 3-(3-acetylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is PEGJMZAKBLJWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-15(24)17-5-4-6-18(14-17)22-12-10-21(25)23-11-9-16-7-8-19(26-2)20(13-16)27-3/h4-8,13-14,22H,9-12H2,1-3H3,(H,23,25).
What are the key properties of 3-(3-acetylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
3-(3-acetylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide has a molecular weight of 370.45 g/mol, XLogP of 3.07, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 109027780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).