2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide

C12H24N2O3 — CID 113159992

IUPAC2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide
SMILESCCCCNC(=O)CN(CCCOC)C(C)=O
InChIInChI=1S/C12H24N2O3/c1-4-5-7-13-12(16)10-14(11(2)15)8-6-9-17-3/h4-10H2,1-3H3,(H,13,16)
InChIKeyUCENJMWZQZGHIX-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.79
Rot. Bonds9

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

2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide (PubChem CID 113159992) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide.

Molecular Properties

Compound Name2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide
PubChem CID113159992
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide
SMILESCCCCNC(=O)CN(CCCOC)C(C)=O
InChIInChI=1S/C12H24N2O3/c1-4-5-7-13-12(16)10-14(11(2)15)8-6-9-17-3/h4-10H2,1-3H3,(H,13,16)
InChIKeyUCENJMWZQZGHIX-UHFFFAOYSA-N
XLogP0.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.79
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-(dimethylamino)propyl]amino]-N-(3-methoxypropyl)acetamide
CID 113160778
2-[acetyl(propyl)amino]-N-(2-methoxyethyl)acetamide
CID 113157913
2-[acetyl(3-methoxypropyl)amino]-N-(3-methylbutyl)acetamide
CID 113160067
3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide
CID 113115724
2-[acetyl(3-methoxypropyl)amino]-N-prop-2-enylacetamide
CID 113159991
2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-methylacetamide
CID 113160069
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-propylacetamide
CID 113160764
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-butylacetamide
CID 113164636
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 113164320
N-(4-methoxybutyl)-2-[methyl(propyl)amino]acetamide
CID 154671140
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

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide?
The IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide (CID 113159992) is 2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide.
What is the SMILES notation for 2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide?
The canonical SMILES for 2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide is CCCCNC(=O)CN(CCCOC)C(C)=O.
What is the InChIKey of 2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide?
The InChIKey is UCENJMWZQZGHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-4-5-7-13-12(16)10-14(11(2)15)8-6-9-17-3/h4-10H2,1-3H3,(H,13,16).
What are the key properties of 2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide?
2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide has a molecular weight of 244.33 g/mol, XLogP of 0.79, 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-butylacetamide is sourced from PubChem (CID 113159992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).