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

C12H25N3O2 — CID 113114928

IUPAC3-[acetyl(propyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
SMILESCCCN(CCC(=O)NCCN(C)C)C(C)=O
InChIInChI=1S/C12H25N3O2/c1-5-8-15(11(2)16)9-6-12(17)13-7-10-14(3)4/h5-10H2,1-4H3,(H,13,17)
InChIKeyILSYJTXEFUUSTN-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.31
Rot. Bonds8

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

3-[acetyl(propyl)amino]-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 113114928) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[acetyl(propyl)amino]-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-[acetyl(propyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID113114928
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-[acetyl(propyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
SMILESCCCN(CCC(=O)NCCN(C)C)C(C)=O
InChIInChI=1S/C12H25N3O2/c1-5-8-15(11(2)16)9-6-12(17)13-7-10-14(3)4/h5-10H2,1-4H3,(H,13,17)
InChIKeyILSYJTXEFUUSTN-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

3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113117461
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113117818
3-[acetyl(2-methoxyethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113116886
3-[acetyl(butyl)amino]-N-propylpropanamide
CID 113115710
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]propanamide
CID 113053508
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113118385
3-[acetyl(2-methylpropyl)amino]-N-propylpropanamide
CID 113115907
N-[2-[acetyl(propyl)amino]ethyl]-3-phenylpropanamide
CID 113051865
3-[3-[bis[3-[bis[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]propyl]amino]propyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 167166577
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113123194
3-[acetyl(propyl)amino]-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 113114987
(E)-N-[2-(dimethylamino)ethyl]oct-4-enamide
CID 102117814

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(propyl)amino]-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-[acetyl(propyl)amino]-N-[2-(dimethylamino)ethyl]propanamide (CID 113114928) is 3-[acetyl(propyl)amino]-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-[acetyl(propyl)amino]-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-[acetyl(propyl)amino]-N-[2-(dimethylamino)ethyl]propanamide is CCCN(CCC(=O)NCCN(C)C)C(C)=O.
What is the InChIKey of 3-[acetyl(propyl)amino]-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is ILSYJTXEFUUSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-8-15(11(2)16)9-6-12(17)13-7-10-14(3)4/h5-10H2,1-4H3,(H,13,17).
What are the key properties of 3-[acetyl(propyl)amino]-N-[2-(dimethylamino)ethyl]propanamide?
3-[acetyl(propyl)amino]-N-[2-(dimethylamino)ethyl]propanamide 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 3-[acetyl(propyl)amino]-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 113114928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).