3-(N-acetyl-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide

C21H26N2O5 — CID 113123896

IUPAC3-(N-acetyl-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCN(C(C)=O)c2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C21H26N2O5/c1-14-7-6-8-17(11-14)23(15(2)24)10-9-20(25)22-16-12-18(26-3)21(28-5)19(13-16)27-4/h6-8,11-13H,9-10H2,1-5H3,(H,22,25)
InChIKeyHTGAYHDEVFLAKR-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.40
Rot. Bonds8

About 3-(N-acetyl-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide

3-(N-acetyl-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 113123896) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-(N-acetyl-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID113123896
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name3-(N-acetyl-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(NC(=O)CCN(C(C)=O)c2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C21H26N2O5/c1-14-7-6-8-17(11-14)23(15(2)24)10-9-20(25)22-16-12-18(26-3)21(28-5)19(13-16)27-4/h6-8,11-13H,9-10H2,1-5H3,(H,22,25)
InChIKeyHTGAYHDEVFLAKR-UHFFFAOYSA-N
XLogP3.40
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 113123854
3-(N-acetyl-3-methylanilino)-N-(4-methylphenyl)propanamide
CID 113123816
3-(N-acetyl-4-fluoroanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 113126987
3-(N-acetyl-3-methylanilino)-N-(2,5-dimethoxyphenyl)propanamide
CID 113123860
3-(N-acetyl-3-methylanilino)-N-[4-(dimethylamino)phenyl]propanamide
CID 113123875
3-(N-acetyl-3-methylanilino)-N-(4-tert-butylphenyl)propanamide
CID 113123836
methyl 3-[acetyl-[3-(3-methylanilino)-3-oxopropyl]amino]benzoate
CID 113131394
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-methylphenyl)propanamide
CID 113123845
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123846
3-(N-acetyl-3,5-dimethylanilino)-N-(2-methoxyphenyl)propanamide
CID 113124754
N-(3,4-dimethoxyphenyl)-3-(N-ethyl-3-methylanilino)propanamide
CID 109040578
3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide
CID 113131035

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide (CID 113123896) is 3-(N-acetyl-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(NC(=O)CCN(C(C)=O)c2cccc(C)c2)cc(OC)c1OC.
What is the InChIKey of 3-(N-acetyl-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is HTGAYHDEVFLAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-14-7-6-8-17(11-14)23(15(2)24)10-9-20(25)22-16-12-18(26-3)21(28-5)19(13-16)27-4/h6-8,11-13H,9-10H2,1-5H3,(H,22,25).
What are the key properties of 3-(N-acetyl-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide?
3-(N-acetyl-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 386.45 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 113123896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).