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

C23H30N2O4 — CID 113124170

IUPAC3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCN(C(C)=O)c2ccc(C)cc2C)cc1OC
InChIInChI=1S/C23H30N2O4/c1-16-6-8-20(17(2)14-16)25(18(3)26)13-11-23(27)24-12-10-19-7-9-21(28-4)22(15-19)29-5/h6-9,14-15H,10-13H2,1-5H3,(H,24,27)
InChIKeyRDVUHKMIQLAUOL-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.42
Rot. Bonds9

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

3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide (PubChem CID 113124170) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
PubChem CID113124170
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)CCN(C(C)=O)c2ccc(C)cc2C)cc1OC
InChIInChI=1S/C23H30N2O4/c1-16-6-8-20(17(2)14-16)25(18(3)26)13-11-23(27)24-12-10-19-7-9-21(28-4)22(15-19)29-5/h6-9,14-15H,10-13H2,1-5H3,(H,24,27)
InChIKeyRDVUHKMIQLAUOL-UHFFFAOYSA-N
XLogP3.42
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113124162
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 113124161
3-(N-acetyl-3,5-dimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 113124689
3-(N-acetyl-2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113124335
2-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 113169973
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dimethylanilino)propanamide
CID 109027746
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113124184
3-(N-acetyl-2,5-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113124333
3-[acetyl(cyclopropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 113115368
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,5-dimethylphenoxy)butanamide
CID 19175359
3-(N-acetyl-2-methoxy-5-methylanilino)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 113129538
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide
CID 113129540

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide (CID 113124170) is 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)CCN(C(C)=O)c2ccc(C)cc2C)cc1OC.
What is the InChIKey of 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is RDVUHKMIQLAUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-16-6-8-20(17(2)14-16)25(18(3)26)13-11-23(27)24-12-10-19-7-9-21(28-4)22(15-19)29-5/h6-9,14-15H,10-13H2,1-5H3,(H,24,27).
What are the key properties of 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide?
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide has a molecular weight of 398.50 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 113124170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).