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

C22H28N2O3 — CID 113124161

IUPAC3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(CCNC(=O)CCN(C(C)=O)c2ccc(C)cc2C)c1
InChIInChI=1S/C22H28N2O3/c1-16-8-9-21(17(2)14-16)24(18(3)25)13-11-22(26)23-12-10-19-6-5-7-20(15-19)27-4/h5-9,14-15H,10-13H2,1-4H3,(H,23,26)
InChIKeyCYNSJOMBMUNCJQ-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.41
Rot. Bonds8

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

3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide (PubChem CID 113124161) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
PubChem CID113124161
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(CCNC(=O)CCN(C(C)=O)c2ccc(C)cc2C)c1
InChIInChI=1S/C22H28N2O3/c1-16-8-9-21(17(2)14-16)24(18(3)25)13-11-22(26)23-12-10-19-6-5-7-20(15-19)27-4/h5-9,14-15H,10-13H2,1-4H3,(H,23,26)
InChIKeyCYNSJOMBMUNCJQ-UHFFFAOYSA-N
XLogP3.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 113124170
3-(N-acetyl-2,5-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 113124335
3-(N-acetyl-3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 113128003
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113124184
3-(4-acetamido-N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 113131113
3-(2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109025525
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113153832
2-(2,5-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977879
3-(N-acetyl-2,5-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 113124333
2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113167110
2-(2,4-dimethyl-N-methylsulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30218429

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide (CID 113124161) is 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide is COc1cccc(CCNC(=O)CCN(C(C)=O)c2ccc(C)cc2C)c1.
What is the InChIKey of 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The InChIKey is CYNSJOMBMUNCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16-8-9-21(17(2)14-16)24(18(3)25)13-11-22(26)23-12-10-19-6-5-7-20(15-19)27-4/h5-9,14-15H,10-13H2,1-4H3,(H,23,26).
What are the key properties of 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide has a molecular weight of 368.48 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 113124161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).