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

C14H30N4O2 — CID 113117818

IUPAC3-[acetyl-[3-(dimethylamino)propyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
SMILESCC(=O)N(CCCN(C)C)CCC(=O)NCCN(C)C
InChIInChI=1S/C14H30N4O2/c1-13(19)18(10-6-9-16(2)3)11-7-14(20)15-8-12-17(4)5/h6-12H2,1-5H3,(H,15,20)
InChIKeyGSXJZUJDIRRMFK-UHFFFAOYSA-N
MW286.42 g/mol
LogP-0.15
Rot. Bonds10

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

3-[acetyl-[3-(dimethylamino)propyl]amino]-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 113117818) has the molecular formula C14H30N4O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-[acetyl-[3-(dimethylamino)propyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID113117818
Molecular FormulaC14H30N4O2
Molecular Weight286.42 g/mol
Exact Mass286.24
IUPAC Name3-[acetyl-[3-(dimethylamino)propyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
SMILESCC(=O)N(CCCN(C)C)CCC(=O)NCCN(C)C
InChIInChI=1S/C14H30N4O2/c1-13(19)18(10-6-9-16(2)3)11-7-14(20)15-8-12-17(4)5/h6-12H2,1-5H3,(H,15,20)
InChIKeyGSXJZUJDIRRMFK-UHFFFAOYSA-N
XLogP-0.15
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113117461
3-[acetyl(propyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113114928
3-[acetyl(2-methoxyethyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113116886
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(butyl)amino]-N-propylpropanamide
CID 113115710
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-propylacetamide
CID 113160764
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113118385
N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79002121
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]propanamide
CID 113053508
N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide
CID 60841312
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113123194
3-[acetyl(pyridin-4-ylmethyl)amino]-N-[3-(dimethylamino)propyl]propanamide
CID 113120552

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-[2-(dimethylamino)ethyl]propanamide (CID 113117818) is 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-[2-(dimethylamino)ethyl]propanamide is CC(=O)N(CCCN(C)C)CCC(=O)NCCN(C)C.
What is the InChIKey of 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is GSXJZUJDIRRMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2/c1-13(19)18(10-6-9-16(2)3)11-7-14(20)15-8-12-17(4)5/h6-12H2,1-5H3,(H,15,20).
What are the key properties of 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-[2-(dimethylamino)ethyl]propanamide?
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 286.42 g/mol, XLogP of -0.15, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl-[3-(dimethylamino)propyl]amino]-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 113117818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).