3-[acetyl(3-methylbutyl)amino]-N-pentylpropanamide

C15H30N2O2 — CID 113122880

IUPAC3-[acetyl(3-methylbutyl)amino]-N-pentylpropanamide
SMILESCCCCCNC(=O)CCN(CCC(C)C)C(C)=O
InChIInChI=1S/C15H30N2O2/c1-5-6-7-10-16-15(19)9-12-17(14(4)18)11-8-13(2)3/h13H,5-12H2,1-4H3,(H,16,19)
InChIKeyPZQPISUHBUUSQJ-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.58
Rot. Bonds10

About 3-[acetyl(3-methylbutyl)amino]-N-pentylpropanamide

3-[acetyl(3-methylbutyl)amino]-N-pentylpropanamide (PubChem CID 113122880) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-[acetyl(3-methylbutyl)amino]-N-pentylpropanamide.

Molecular Properties

Compound Name3-[acetyl(3-methylbutyl)amino]-N-pentylpropanamide
PubChem CID113122880
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name3-[acetyl(3-methylbutyl)amino]-N-pentylpropanamide
SMILESCCCCCNC(=O)CCN(CCC(C)C)C(C)=O
InChIInChI=1S/C15H30N2O2/c1-5-6-7-10-16-15(19)9-12-17(14(4)18)11-8-13(2)3/h13H,5-12H2,1-4H3,(H,16,19)
InChIKeyPZQPISUHBUUSQJ-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[acetyl(3-methylbutyl)amino]-N-pentylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
3-[acetyl(2-methylpropyl)amino]-N-propylpropanamide
CID 113115907
3-[acetyl(butyl)amino]-N-propylpropanamide
CID 113115710
N-hexyl-6-methylheptanamide
CID 141197249
3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide
CID 113122843
3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide
CID 113115724
[1,5-dioxo-1,5-bis(tetradecylamino)pentan-2-yl]azanium
CID 59935078
4-methyl-N-tridecylhexanamide
CID 89162842
2-[acetyl(3-methylbutyl)amino]-N-[3-(dimethylamino)propyl]acetamide
CID 113166468
3-[acetyl(prop-2-enyl)amino]-N-butylpropanamide
CID 113115514
N'-hexyl-N'-hydroxy-N-[5-[hydroxy-[4-[5-[hydroxy(4-methylpentanoyl)amino]pentylamino]-4-oxobutanoyl]amino]pentyl]butanediamide
CID 160650527
3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide
CID 118180367

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(3-methylbutyl)amino]-N-pentylpropanamide?
The IUPAC name of 3-[acetyl(3-methylbutyl)amino]-N-pentylpropanamide (CID 113122880) is 3-[acetyl(3-methylbutyl)amino]-N-pentylpropanamide.
What is the SMILES notation for 3-[acetyl(3-methylbutyl)amino]-N-pentylpropanamide?
The canonical SMILES for 3-[acetyl(3-methylbutyl)amino]-N-pentylpropanamide is CCCCCNC(=O)CCN(CCC(C)C)C(C)=O.
What is the InChIKey of 3-[acetyl(3-methylbutyl)amino]-N-pentylpropanamide?
The InChIKey is PZQPISUHBUUSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-6-7-10-16-15(19)9-12-17(14(4)18)11-8-13(2)3/h13H,5-12H2,1-4H3,(H,16,19).
What are the key properties of 3-[acetyl(3-methylbutyl)amino]-N-pentylpropanamide?
3-[acetyl(3-methylbutyl)amino]-N-pentylpropanamide has a molecular weight of 270.42 g/mol, XLogP of 2.58, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(3-methylbutyl)amino]-N-pentylpropanamide is sourced from PubChem (CID 113122880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).