3-(N-acetyl-3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide

C20H24ClN3O3 — CID 113128397

IUPAC3-(N-acetyl-3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCOc1ccc(N(CCC(=O)N(C)CCc2ccncc2)C(C)=O)cc1Cl
InChIInChI=1S/C20H24ClN3O3/c1-15(25)24(17-4-5-19(27-3)18(21)14-17)13-9-20(26)23(2)12-8-16-6-10-22-11-7-16/h4-7,10-11,14H,8-9,12-13H2,1-3H3
InChIKeyHKJOPGAYEATKQA-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.19
Rot. Bonds8

About 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide

3-(N-acetyl-3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 113128397) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID113128397
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name3-(N-acetyl-3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCOc1ccc(N(CCC(=O)N(C)CCc2ccncc2)C(C)=O)cc1Cl
InChIInChI=1S/C20H24ClN3O3/c1-15(25)24(17-4-5-19(27-3)18(21)14-17)13-9-20(26)23(2)12-8-16-6-10-22-11-7-16/h4-7,10-11,14H,8-9,12-13H2,1-3H3
InChIKeyHKJOPGAYEATKQA-UHFFFAOYSA-N
XLogP3.19
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.19
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
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
2-(3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001550
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-ethyl-N-phenylpropanamide
CID 113128426
2-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110768677
N-methyl-N-(2-pyridin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60602562
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113128420
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2-methylpropyl)propanamide
CID 113128357
3-(2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109026081
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113117493

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (CID 113128397) is 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is COc1ccc(N(CCC(=O)N(C)CCc2ccncc2)C(C)=O)cc1Cl.
What is the InChIKey of 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is HKJOPGAYEATKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-15(25)24(17-4-5-19(27-3)18(21)14-17)13-9-20(26)23(2)12-8-16-6-10-22-11-7-16/h4-7,10-11,14H,8-9,12-13H2,1-3H3.
What are the key properties of 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 389.88 g/mol, XLogP of 3.19, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 113128397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).