3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide

C13H26N2O3 — CID 113115724

IUPAC3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide
SMILESCCCCN(CCC(=O)NCCCOC)C(C)=O
InChIInChI=1S/C13H26N2O3/c1-4-5-9-15(12(2)16)10-7-13(17)14-8-6-11-18-3/h4-11H2,1-3H3,(H,14,17)
InChIKeyKLGSARHCQLRHBE-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.18
Rot. Bonds10

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

3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide (PubChem CID 113115724) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide
PubChem CID113115724
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide
SMILESCCCCN(CCC(=O)NCCCOC)C(C)=O
InChIInChI=1S/C13H26N2O3/c1-4-5-9-15(12(2)16)10-7-13(17)14-8-6-11-18-3/h4-11H2,1-3H3,(H,14,17)
InChIKeyKLGSARHCQLRHBE-UHFFFAOYSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[acetyl(butyl)amino]-N-propylpropanamide
CID 113115710
2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide
CID 113159992
3-[acetyl(prop-2-enyl)amino]-N-(3-methoxypropyl)propanamide
CID 113115524
3-[acetyl(2-methoxyethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113116886
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(3-methoxypropyl)acetamide
CID 113160778
3-[acetyl(3-methylbutyl)amino]-N-pentylpropanamide
CID 113122880
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 113118382
N'-butyl-N-(3-methoxypropyl)-N'-methylpropanediamide
CID 108943305
3-[2-methoxyethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 58105662
3-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(3-methoxypropyl)propanamide
CID 113119718
3-[acetyl(prop-2-enyl)amino]-N-butylpropanamide
CID 113115514
N-hexyl-N-[3-(3-methoxypropylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 7271476

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide (CID 113115724) is 3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide is CCCCN(CCC(=O)NCCCOC)C(C)=O.
What is the InChIKey of 3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide?
The InChIKey is KLGSARHCQLRHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-5-9-15(12(2)16)10-7-13(17)14-8-6-11-18-3/h4-11H2,1-3H3,(H,14,17).
What are the key properties of 3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide?
3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide has a molecular weight of 258.36 g/mol, XLogP of 1.18, 10 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-(3-methoxypropyl)propanamide is sourced from PubChem (CID 113115724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).