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

C20H25N3O4 — CID 113174860

IUPAC2-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCOc1ccc(N(CC(=O)N(C)CCc2ccncc2)C(C)=O)cc1OC
InChIInChI=1S/C20H25N3O4/c1-15(24)23(17-5-6-18(26-3)19(13-17)27-4)14-20(25)22(2)12-9-16-7-10-21-11-8-16/h5-8,10-11,13H,9,12,14H2,1-4H3
InChIKeyFGKXKWOHGOWKON-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.15
Rot. Bonds8

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

2-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 113174860) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID113174860
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name2-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCOc1ccc(N(CC(=O)N(C)CCc2ccncc2)C(C)=O)cc1OC
InChIInChI=1S/C20H25N3O4/c1-15(24)23(17-5-6-18(26-3)19(13-17)27-4)14-20(25)22(2)12-9-16-7-10-21-11-8-16/h5-8,10-11,13H,9,12,14H2,1-4H3
InChIKeyFGKXKWOHGOWKON-UHFFFAOYSA-N
XLogP2.15
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113130223
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113128397
3-(N-acetyl-2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113129575
3,4-dimethoxy-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 99274260
N-methyl-N-(2-pyridin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60602562
3-fluoro-4-methoxy-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110761103
2-(2,4-dimethoxy-3-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110769825
N-(3,4-dimethoxyphenyl)-N-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]pyridine-4-carboxamide
CID 70057809
2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-N-methylacetamide
CID 110287977
N-(2-aminoethyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 28769902
2-(3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001550
2-[(2,5-dimethoxyphenyl)sulfonylamino]-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 112993755

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (CID 113174860) is 2-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is COc1ccc(N(CC(=O)N(C)CCc2ccncc2)C(C)=O)cc1OC.
What is the InChIKey of 2-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is FGKXKWOHGOWKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-15(24)23(17-5-6-18(26-3)19(13-17)27-4)14-20(25)22(2)12-9-16-7-10-21-11-8-16/h5-8,10-11,13H,9,12,14H2,1-4H3.
What are the key properties of 2-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
2-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 371.44 g/mol, XLogP of 2.15, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 113174860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).