3-(N-acetyl-2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide

C21H27N3O3 — CID 113129575

IUPAC3-(N-acetyl-2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCOc1ccc(C)cc1N(CCC(=O)N(C)CCc1ccncc1)C(C)=O
InChIInChI=1S/C21H27N3O3/c1-16-5-6-20(27-4)19(15-16)24(17(2)25)14-10-21(26)23(3)13-9-18-7-11-22-12-8-18/h5-8,11-12,15H,9-10,13-14H2,1-4H3
InChIKeyIYZQBSVNKBYBQY-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.84
Rot. Bonds8

About 3-(N-acetyl-2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide

3-(N-acetyl-2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 113129575) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-(N-acetyl-2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID113129575
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name3-(N-acetyl-2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCOc1ccc(C)cc1N(CCC(=O)N(C)CCc1ccncc1)C(C)=O
InChIInChI=1S/C21H27N3O3/c1-16-5-6-20(27-4)19(15-16)24(17(2)25)14-10-21(26)23(3)13-9-18-7-11-22-12-8-18/h5-8,11-12,15H,9-10,13-14H2,1-4H3
InChIKeyIYZQBSVNKBYBQY-UHFFFAOYSA-N
XLogP2.84
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-(2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109026081
2-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113174860
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
N-methyl-N-(2-pyridin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60602562
2-(2,4-dimethoxy-3-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110769825
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113117493
3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113128502
3-(N-acetyl-2-methoxy-5-methylanilino)-N-butan-2-ylpropanamide
CID 113129532
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113129681
2-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110768677

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (CID 113129575) is 3-(N-acetyl-2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is COc1ccc(C)cc1N(CCC(=O)N(C)CCc1ccncc1)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is IYZQBSVNKBYBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-16-5-6-20(27-4)19(15-16)24(17(2)25)14-10-21(26)23(3)13-9-18-7-11-22-12-8-18/h5-8,11-12,15H,9-10,13-14H2,1-4H3.
What are the key properties of 3-(N-acetyl-2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
3-(N-acetyl-2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 369.47 g/mol, XLogP of 2.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 113129575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).