3-[acetyl(butyl)amino]-N-propylpropanamide

C12H24N2O2 — CID 113115710

IUPAC3-[acetyl(butyl)amino]-N-propylpropanamide
SMILESCCCCN(CCC(=O)NCCC)C(C)=O
InChIInChI=1S/C12H24N2O2/c1-4-6-9-14(11(3)15)10-7-12(16)13-8-5-2/h4-10H2,1-3H3,(H,13,16)
InChIKeySCWUHKMLYPVSIB-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.55
Rot. Bonds8

About 3-[acetyl(butyl)amino]-N-propylpropanamide

3-[acetyl(butyl)amino]-N-propylpropanamide (PubChem CID 113115710) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[acetyl(butyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[acetyl(butyl)amino]-N-propylpropanamide
PubChem CID113115710
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-[acetyl(butyl)amino]-N-propylpropanamide
SMILESCCCCN(CCC(=O)NCCC)C(C)=O
InChIInChI=1S/C12H24N2O2/c1-4-6-9-14(11(3)15)10-7-12(16)13-8-5-2/h4-10H2,1-3H3,(H,13,16)
InChIKeySCWUHKMLYPVSIB-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide
CID 113115724
3-[butyl(methyl)amino]-N-propylpropanamide
CID 108795247
3-[acetyl(2-methylpropyl)amino]-N-propylpropanamide
CID 113115907
3-[acetyl(prop-2-enyl)amino]-N-propylpropanamide
CID 113115511
3-[acetyl(3-methylbutyl)amino]-N-pentylpropanamide
CID 113122880
3-[acetyl(propyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113114928
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113117818
3-[acetyl(prop-2-enyl)amino]-N-butylpropanamide
CID 113115514
3-[acetyl(2-phenylethyl)amino]-N-propylpropanamide
CID 113120727
3-[acetyl(butyl)amino]-N-cyclopentylpropanamide
CID 113115718
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113117461
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-propylacetamide
CID 113160764

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(butyl)amino]-N-propylpropanamide?
The IUPAC name of 3-[acetyl(butyl)amino]-N-propylpropanamide (CID 113115710) is 3-[acetyl(butyl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[acetyl(butyl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[acetyl(butyl)amino]-N-propylpropanamide is CCCCN(CCC(=O)NCCC)C(C)=O.
What is the InChIKey of 3-[acetyl(butyl)amino]-N-propylpropanamide?
The InChIKey is SCWUHKMLYPVSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-6-9-14(11(3)15)10-7-12(16)13-8-5-2/h4-10H2,1-3H3,(H,13,16).
What are the key properties of 3-[acetyl(butyl)amino]-N-propylpropanamide?
3-[acetyl(butyl)amino]-N-propylpropanamide has a molecular weight of 228.34 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(butyl)amino]-N-propylpropanamide is sourced from PubChem (CID 113115710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).