3-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide

C21H27N3O4 — CID 113130223

IUPAC3-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCOc1ccc(N(CCC(=O)N(C)CCc2ccncc2)C(C)=O)cc1OC
InChIInChI=1S/C21H27N3O4/c1-16(25)24(18-5-6-19(27-3)20(15-18)28-4)14-10-21(26)23(2)13-9-17-7-11-22-12-8-17/h5-8,11-12,15H,9-10,13-14H2,1-4H3
InChIKeyZRSUQBFYAVDBSO-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.54
Rot. Bonds9

About 3-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide

3-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 113130223) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID113130223
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name3-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCOc1ccc(N(CCC(=O)N(C)CCc2ccncc2)C(C)=O)cc1OC
InChIInChI=1S/C21H27N3O4/c1-16(25)24(18-5-6-19(27-3)20(15-18)28-4)14-10-21(26)23(2)13-9-17-7-11-22-12-8-17/h5-8,11-12,15H,9-10,13-14H2,1-4H3
InChIKeyZRSUQBFYAVDBSO-UHFFFAOYSA-N
XLogP2.54
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(N-acetyl-3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113128397
2-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113174860
3-(N-acetyl-2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113129575
3-(N-acetyl-3,4-dimethoxyanilino)-N,N-dipropylpropanamide
CID 113130237
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
3,4-dimethoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 99274260
3-(2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109026081
N-methyl-N-(2-pyridin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60602562
N-(2-aminoethyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 28769902
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113117493
3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110761103
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 110298967

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of 3-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (CID 113130223) is 3-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is COc1ccc(N(CCC(=O)N(C)CCc2ccncc2)C(C)=O)cc1OC.
What is the InChIKey of 3-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is ZRSUQBFYAVDBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-16(25)24(18-5-6-19(27-3)20(15-18)28-4)14-10-21(26)23(2)13-9-17-7-11-22-12-8-17/h5-8,11-12,15H,9-10,13-14H2,1-4H3.
What are the key properties of 3-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
3-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 385.46 g/mol, XLogP of 2.54, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 113130223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).