3-[acetyl(butyl)amino]-N-(4-methoxyphenyl)propanamide

C16H24N2O3 — CID 113115841

IUPAC3-[acetyl(butyl)amino]-N-(4-methoxyphenyl)propanamide
SMILESCCCCN(CCC(=O)Nc1ccc(OC)cc1)C(C)=O
InChIInChI=1S/C16H24N2O3/c1-4-5-11-18(13(2)19)12-10-16(20)17-14-6-8-15(21-3)9-7-14/h6-9H,4-5,10-12H2,1-3H3,(H,17,20)
InChIKeyKYBZTAOLFNUMCD-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.67
Rot. Bonds8

About 3-[acetyl(butyl)amino]-N-(4-methoxyphenyl)propanamide

3-[acetyl(butyl)amino]-N-(4-methoxyphenyl)propanamide (PubChem CID 113115841) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[acetyl(butyl)amino]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(butyl)amino]-N-(4-methoxyphenyl)propanamide
PubChem CID113115841
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[acetyl(butyl)amino]-N-(4-methoxyphenyl)propanamide
SMILESCCCCN(CCC(=O)Nc1ccc(OC)cc1)C(C)=O
InChIInChI=1S/C16H24N2O3/c1-4-5-11-18(13(2)19)12-10-16(20)17-14-6-8-15(21-3)9-7-14/h6-9H,4-5,10-12H2,1-3H3,(H,17,20)
InChIKeyKYBZTAOLFNUMCD-UHFFFAOYSA-N
XLogP2.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(pentyl)amino]-N-(4-ethoxyphenyl)propanamide
CID 113123119
3-[acetyl(butyl)amino]-N-[4-(diethylamino)phenyl]propanamide
CID 113115863
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 113119947
ethyl 4-[3-[acetyl(butyl)amino]propanoylamino]benzoate
CID 113115882
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(4-fluorophenyl)propanamide
CID 113119958
3-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-(4-propan-2-ylphenyl)propanamide
CID 113122393
3-[acetyl(butyl)amino]-N-(3-bromo-4-methylphenyl)propanamide
CID 113115838
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-ethoxyphenyl)propanamide
CID 113117576
3-[acetyl(butyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide
CID 113115878
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135977
N-butyl-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]octanamide
CID 4167862

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(butyl)amino]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-[acetyl(butyl)amino]-N-(4-methoxyphenyl)propanamide (CID 113115841) is 3-[acetyl(butyl)amino]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(butyl)amino]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-[acetyl(butyl)amino]-N-(4-methoxyphenyl)propanamide is CCCCN(CCC(=O)Nc1ccc(OC)cc1)C(C)=O.
What is the InChIKey of 3-[acetyl(butyl)amino]-N-(4-methoxyphenyl)propanamide?
The InChIKey is KYBZTAOLFNUMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-5-11-18(13(2)19)12-10-16(20)17-14-6-8-15(21-3)9-7-14/h6-9H,4-5,10-12H2,1-3H3,(H,17,20).
What are the key properties of 3-[acetyl(butyl)amino]-N-(4-methoxyphenyl)propanamide?
3-[acetyl(butyl)amino]-N-(4-methoxyphenyl)propanamide has a molecular weight of 292.38 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(butyl)amino]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 113115841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).