2-[acetyl(3-methoxypropyl)amino]-N-(3-methylbutyl)acetamide

C13H26N2O3 — CID 113160067

IUPAC2-[acetyl(3-methoxypropyl)amino]-N-(3-methylbutyl)acetamide
SMILESCOCCCN(CC(=O)NCCC(C)C)C(C)=O
InChIInChI=1S/C13H26N2O3/c1-11(2)6-7-14-13(17)10-15(12(3)16)8-5-9-18-4/h11H,5-10H2,1-4H3,(H,14,17)
InChIKeyXBUIDDPCLDOKEP-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.03
Rot. Bonds9

About 2-[acetyl(3-methoxypropyl)amino]-N-(3-methylbutyl)acetamide

2-[acetyl(3-methoxypropyl)amino]-N-(3-methylbutyl)acetamide (PubChem CID 113160067) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[acetyl(3-methoxypropyl)amino]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(3-methoxypropyl)amino]-N-(3-methylbutyl)acetamide
PubChem CID113160067
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[acetyl(3-methoxypropyl)amino]-N-(3-methylbutyl)acetamide
SMILESCOCCCN(CC(=O)NCCC(C)C)C(C)=O
InChIInChI=1S/C13H26N2O3/c1-11(2)6-7-14-13(17)10-15(12(3)16)8-5-9-18-4/h11H,5-10H2,1-4H3,(H,14,17)
InChIKeyXBUIDDPCLDOKEP-UHFFFAOYSA-N
XLogP1.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.03
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

2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide
CID 113159992
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(3-methoxypropyl)acetamide
CID 113160778
2-[acetyl(3-methoxypropyl)amino]-N-prop-2-enylacetamide
CID 113159991
2-[acetyl(propyl)amino]-N-(2-methoxyethyl)acetamide
CID 113157913
2-[acetyl(3-methylbutyl)amino]-N-[3-(dimethylamino)propyl]acetamide
CID 113166468
2-[acetyl(3-methoxypropyl)amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113160044
2-[acetyl(3-methoxypropyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 113160075
2-[acetyl(2-methoxyethyl)amino]-N-propan-2-ylacetamide
CID 113159791
2-[acetyl(3-methoxypropyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113160158
2-[acetyl(3-methoxypropyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 113160021
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 113164320
2-[acetyl(3-methoxypropyl)amino]-N-cycloheptylacetamide
CID 113160065

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-(3-methylbutyl)acetamide (CID 113160067) is 2-[acetyl(3-methoxypropyl)amino]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[acetyl(3-methoxypropyl)amino]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[acetyl(3-methoxypropyl)amino]-N-(3-methylbutyl)acetamide is COCCCN(CC(=O)NCCC(C)C)C(C)=O.
What is the InChIKey of 2-[acetyl(3-methoxypropyl)amino]-N-(3-methylbutyl)acetamide?
The InChIKey is XBUIDDPCLDOKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-11(2)6-7-14-13(17)10-15(12(3)16)8-5-9-18-4/h11H,5-10H2,1-4H3,(H,14,17).
What are the key properties of 2-[acetyl(3-methoxypropyl)amino]-N-(3-methylbutyl)acetamide?
2-[acetyl(3-methoxypropyl)amino]-N-(3-methylbutyl)acetamide has a molecular weight of 258.36 g/mol, XLogP of 1.03, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(3-methoxypropyl)amino]-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 113160067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).