3-(4-acetamido-N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide

C22H27N3O4 — CID 113131113

IUPAC3-(4-acetamido-N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(CCNC(=O)CCN(C(C)=O)c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C22H27N3O4/c1-16(26)24-19-7-9-20(10-8-19)25(17(2)27)14-12-22(28)23-13-11-18-5-4-6-21(15-18)29-3/h4-10,15H,11-14H2,1-3H3,(H,23,28)(H,24,26)
InChIKeyHQGMOHBKDKZARD-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.76
Rot. Bonds9

About 3-(4-acetamido-N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide

3-(4-acetamido-N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide (PubChem CID 113131113) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-(4-acetamido-N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-acetamido-N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
PubChem CID113131113
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name3-(4-acetamido-N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
SMILESCOc1cccc(CCNC(=O)CCN(C(C)=O)c2ccc(NC(C)=O)cc2)c1
InChIInChI=1S/C22H27N3O4/c1-16(26)24-19-7-9-20(10-8-19)25(17(2)27)14-12-22(28)23-13-11-18-5-4-6-21(15-18)29-3/h4-10,15H,11-14H2,1-3H3,(H,23,28)(H,24,26)
InChIKeyHQGMOHBKDKZARD-UHFFFAOYSA-N
XLogP2.76
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-acetamido-N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(N-acetyl-3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 113128003
3-(N-acetyl-2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 113124161
2-(N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113167110
2-(N-acetyl-4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113169252
3-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109025532
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113175282
3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide
CID 113131035
4-(2,2-dimethylhydrazinyl)-N-[2-(3-methoxyphenyl)ethyl]-4-oxobutanamide
CID 166390750
3-(4-acetamido-N-acetylanilino)-N-(3-methylbutyl)propanamide
CID 113131124
3-(N-acetyl-3-methoxyanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113128887
2-(N-acetyl-3-fluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113177608
N-[2-(3-methoxyphenyl)ethyl]-3-(N-methylsulfonylanilino)propanamide
CID 113141472

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamido-N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 3-(4-acetamido-N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide (CID 113131113) is 3-(4-acetamido-N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-acetamido-N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-acetamido-N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide is COc1cccc(CCNC(=O)CCN(C(C)=O)c2ccc(NC(C)=O)cc2)c1.
What is the InChIKey of 3-(4-acetamido-N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
The InChIKey is HQGMOHBKDKZARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-16(26)24-19-7-9-20(10-8-19)25(17(2)27)14-12-22(28)23-13-11-18-5-4-6-21(15-18)29-3/h4-10,15H,11-14H2,1-3H3,(H,23,28)(H,24,26).
What are the key properties of 3-(4-acetamido-N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide?
3-(4-acetamido-N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide has a molecular weight of 397.48 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamido-N-acetylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 113131113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).