3-[acetyl(2-methylpropyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide

C16H23ClN2O3 — CID 113116035

IUPAC3-[acetyl(2-methylpropyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCN(CC(C)C)C(C)=O
InChIInChI=1S/C16H23ClN2O3/c1-11(2)10-19(12(3)20)8-7-16(21)18-14-9-13(17)5-6-15(14)22-4/h5-6,9,11H,7-8,10H2,1-4H3,(H,18,21)
InChIKeyOOLUXUVJSYKMSV-UHFFFAOYSA-N
MW326.82 g/mol
LogP3.18
Rot. Bonds7

About 3-[acetyl(2-methylpropyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide

3-[acetyl(2-methylpropyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide (PubChem CID 113116035) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is 3-[acetyl(2-methylpropyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(2-methylpropyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide
PubChem CID113116035
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name3-[acetyl(2-methylpropyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)CCN(CC(C)C)C(C)=O
InChIInChI=1S/C16H23ClN2O3/c1-11(2)10-19(12(3)20)8-7-16(21)18-14-9-13(17)5-6-15(14)22-4/h5-6,9,11H,7-8,10H2,1-4H3,(H,18,21)
InChIKeyOOLUXUVJSYKMSV-UHFFFAOYSA-N
XLogP3.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113119813
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113118487
N-(5-chloro-2-methoxyphenyl)-3-[3-hydroxybutyl(methyl)amino]propanamide
CID 111488552
2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224
3-(N-acetyl-5-chloro-2-methylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113127763
3-(N-acetyl-2,6-dimethylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113124925
2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113165494
2-[2-acetamidoethyl-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]amino]propanoic acid
CID 122120519
N'-(5-chloro-2-methoxyphenyl)butanediamide
CID 94271903
3-[acetyl(2-methylpropyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113116082
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
N-(5-chloro-2-methoxyphenyl)-2-propan-2-yloxyacetamide
CID 47412284

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2-methylpropyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(2-methylpropyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide (CID 113116035) is 3-[acetyl(2-methylpropyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(2-methylpropyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(2-methylpropyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide is COc1ccc(Cl)cc1NC(=O)CCN(CC(C)C)C(C)=O.
What is the InChIKey of 3-[acetyl(2-methylpropyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide?
The InChIKey is OOLUXUVJSYKMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-11(2)10-19(12(3)20)8-7-16(21)18-14-9-13(17)5-6-15(14)22-4/h5-6,9,11H,7-8,10H2,1-4H3,(H,18,21).
What are the key properties of 3-[acetyl(2-methylpropyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide?
3-[acetyl(2-methylpropyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide has a molecular weight of 326.82 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(2-methylpropyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide is sourced from PubChem (CID 113116035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).