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

C15H22N2O2 — CID 113115004

IUPAC3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide
SMILESCCCN(CCC(=O)Nc1ccccc1C)C(C)=O
InChIInChI=1S/C15H22N2O2/c1-4-10-17(13(3)18)11-9-15(19)16-14-8-6-5-7-12(14)2/h5-8H,4,9-11H2,1-3H3,(H,16,19)
InChIKeyDDJBBOLFBBHADS-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.58
Rot. Bonds6

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

3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide (PubChem CID 113115004) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide
PubChem CID113115004
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide
SMILESCCCN(CCC(=O)Nc1ccccc1C)C(C)=O
InChIInChI=1S/C15H22N2O2/c1-4-10-17(13(3)18)11-9-15(19)16-14-8-6-5-7-12(14)2/h5-8H,4,9-11H2,1-3H3,(H,16,19)
InChIKeyDDJBBOLFBBHADS-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(propyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113115015
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)propanamide
CID 113117534
3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113115042
3-[acetyl(propyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 113115032
3-[acetyl(propyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113115045
3-(dimethylamino)-N-(2-methylphenyl)propanamide
CID 89469008
3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 113123619
3-[acetyl(tert-butyl)amino]-N-(2-methylphenyl)propanamide
CID 113122509
3-[acetyl(butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113115826
3-[acetyl(pyridin-3-ylmethyl)amino]-N-(2-methylphenyl)propanamide
CID 113120428
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-ethylphenyl)propanamide
CID 113117546
2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
CID 112790013

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide (CID 113115004) is 3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide is CCCN(CCC(=O)Nc1ccccc1C)C(C)=O.
What is the InChIKey of 3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide?
The InChIKey is DDJBBOLFBBHADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-10-17(13(3)18)11-9-15(19)16-14-8-6-5-7-12(14)2/h5-8H,4,9-11H2,1-3H3,(H,16,19).
What are the key properties of 3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide?
3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide has a molecular weight of 262.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 113115004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).