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

C13H27N3O3 — CID 113160778

IUPAC2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(CCCN(C)C)C(C)=O
InChIInChI=1S/C13H27N3O3/c1-12(17)16(9-6-8-15(2)3)11-13(18)14-7-5-10-19-4/h5-11H2,1-4H3,(H,14,18)
InChIKeyXZVMGUZMEBPMFE-UHFFFAOYSA-N
MW273.38 g/mol
LogP-0.06
Rot. Bonds10

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

2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(3-methoxypropyl)acetamide (PubChem CID 113160778) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(3-methoxypropyl)acetamide
PubChem CID113160778
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(CCCN(C)C)C(C)=O
InChIInChI=1S/C13H27N3O3/c1-12(17)16(9-6-8-15(2)3)11-13(18)14-7-5-10-19-4/h5-11H2,1-4H3,(H,14,18)
InChIKeyXZVMGUZMEBPMFE-UHFFFAOYSA-N
XLogP-0.06
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide
CID 113159992
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-propylacetamide
CID 113160764
2-[acetyl(3-methoxypropyl)amino]-N-(3-methylbutyl)acetamide
CID 113160067
2-[acetyl(propyl)amino]-N-(2-methoxyethyl)acetamide
CID 113157913
2-[acetyl(3-methylbutyl)amino]-N-[3-(dimethylamino)propyl]acetamide
CID 113166468
2-[acetyl(3-methoxypropyl)amino]-N-prop-2-enylacetamide
CID 113159991
1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)urea
CID 58817776
2-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(3-methoxypropyl)acetamide
CID 113164320
3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide
CID 113115724
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-[3-(dimethylamino)propyl]acetamide
CID 113164495
methyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetate
CID 60660409
3-[acetyl-[3-(dimethylamino)propyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113117818

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(3-methoxypropyl)acetamide (CID 113160778) is 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(CCCN(C)C)C(C)=O.
What is the InChIKey of 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(3-methoxypropyl)acetamide?
The InChIKey is XZVMGUZMEBPMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-12(17)16(9-6-8-15(2)3)11-13(18)14-7-5-10-19-4/h5-11H2,1-4H3,(H,14,18).
What are the key properties of 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(3-methoxypropyl)acetamide?
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(3-methoxypropyl)acetamide has a molecular weight of 273.38 g/mol, XLogP of -0.06, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 113160778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).