2-[acetyl-[3-(dimethylamino)propyl]amino]-N-propylacetamide

C12H25N3O2 — CID 113160764

IUPAC2-[acetyl-[3-(dimethylamino)propyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCCN(C)C)C(C)=O
InChIInChI=1S/C12H25N3O2/c1-5-7-13-12(17)10-15(11(2)16)9-6-8-14(3)4/h5-10H2,1-4H3,(H,13,17)
InChIKeyAUEYXDGKPLGDCO-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.31
Rot. Bonds8

About 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-propylacetamide

2-[acetyl-[3-(dimethylamino)propyl]amino]-N-propylacetamide (PubChem CID 113160764) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[acetyl-[3-(dimethylamino)propyl]amino]-N-propylacetamide
PubChem CID113160764
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[acetyl-[3-(dimethylamino)propyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCCN(C)C)C(C)=O
InChIInChI=1S/C12H25N3O2/c1-5-7-13-12(17)10-15(11(2)16)9-6-8-14(3)4/h5-10H2,1-4H3,(H,13,17)
InChIKeyAUEYXDGKPLGDCO-UHFFFAOYSA-N
XLogP0.31
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(3-methoxypropyl)acetamide
CID 113160778
2-[acetyl(3-methylbutyl)amino]-N-[3-(dimethylamino)propyl]acetamide
CID 113166468
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113117818
2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide
CID 113159992
3-[acetyl(butyl)amino]-N-propylpropanamide
CID 113115710
18-(dimethylamino)-N-propyloctadecanamide
CID 87286031
2-[acetyl(propyl)amino]-N-(2-methoxyethyl)acetamide
CID 113157913
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-ethylphenyl)acetamide
CID 113160867
2-[acetyl(propan-2-yl)amino]-N-propylacetamide
CID 113158097
3-[acetyl(propyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113114928
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 113160861
2-[acetyl(butyl)amino]-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113158667

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-propylacetamide?
The IUPAC name of 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-propylacetamide (CID 113160764) is 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-propylacetamide is CCCNC(=O)CN(CCCN(C)C)C(C)=O.
What is the InChIKey of 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-propylacetamide?
The InChIKey is AUEYXDGKPLGDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-7-13-12(17)10-15(11(2)16)9-6-8-14(3)4/h5-10H2,1-4H3,(H,13,17).
What are the key properties of 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-propylacetamide?
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-propylacetamide has a molecular weight of 243.35 g/mol, XLogP of 0.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-propylacetamide is sourced from PubChem (CID 113160764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).