3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide

C15H22N2O3 — CID 113115042

IUPAC3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide
SMILESCCCN(CCC(=O)Nc1ccccc1OC)C(C)=O
InChIInChI=1S/C15H22N2O3/c1-4-10-17(12(2)18)11-9-15(19)16-13-7-5-6-8-14(13)20-3/h5-8H,4,9-11H2,1-3H3,(H,16,19)
InChIKeyYPLSRHBXXXIRNY-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.28
Rot. Bonds7

About 3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide

3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide (PubChem CID 113115042) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide
PubChem CID113115042
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide
SMILESCCCN(CCC(=O)Nc1ccccc1OC)C(C)=O
InChIInChI=1S/C15H22N2O3/c1-4-10-17(12(2)18)11-9-15(19)16-13-7-5-6-8-14(13)20-3/h5-8H,4,9-11H2,1-3H3,(H,16,19)
InChIKeyYPLSRHBXXXIRNY-UHFFFAOYSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(propyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115045
3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide
CID 113115004
3-[acetyl(pyridin-2-ylmethyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113120272
3-[acetyl(2-methoxyethyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113117001
3-[acetyl(propyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113115015
2-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide
CID 119267704
3-[2-hydroxyethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 62020448
3-[acetyl(3-methylbutyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113122932
ethyl 3-[(2-methoxyphenyl)carbamoyl-propylamino]propanoate
CID 42697935
4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide
CID 119267716
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-fluorophenyl)propanamide
CID 113119801
3-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 113121303

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide (CID 113115042) is 3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide is CCCN(CCC(=O)Nc1ccccc1OC)C(C)=O.
What is the InChIKey of 3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide?
The InChIKey is YPLSRHBXXXIRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-10-17(12(2)18)11-9-15(19)16-13-7-5-6-8-14(13)20-3/h5-8H,4,9-11H2,1-3H3,(H,16,19).
What are the key properties of 3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide?
3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide has a molecular weight of 278.35 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 113115042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).