3-[acetyl(3-methoxypropyl)amino]-N,N-diethylpropanamide

C13H26N2O3 — CID 113117131

IUPAC3-[acetyl(3-methoxypropyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCN(CCCOC)C(C)=O
InChIInChI=1S/C13H26N2O3/c1-5-14(6-2)13(17)8-10-15(12(3)16)9-7-11-18-4/h5-11H2,1-4H3
InChIKeyKVUYHSRJAFPBPR-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.13
Rot. Bonds9

About 3-[acetyl(3-methoxypropyl)amino]-N,N-diethylpropanamide

3-[acetyl(3-methoxypropyl)amino]-N,N-diethylpropanamide (PubChem CID 113117131) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-[acetyl(3-methoxypropyl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[acetyl(3-methoxypropyl)amino]-N,N-diethylpropanamide
PubChem CID113117131
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name3-[acetyl(3-methoxypropyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCN(CCCOC)C(C)=O
InChIInChI=1S/C13H26N2O3/c1-5-14(6-2)13(17)8-10-15(12(3)16)9-7-11-18-4/h5-11H2,1-4H3
InChIKeyKVUYHSRJAFPBPR-UHFFFAOYSA-N
XLogP1.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide
CID 113115724
3-[acetyl(propyl)amino]-N,N-dipropylpropanamide
CID 113114998
3-[acetyl(oxolan-2-ylmethyl)amino]-N,N-diethylpropanamide
CID 113117319
N-[2-(ethylsulfonylamino)ethyl]-N-(3-methoxypropyl)acetamide
CID 113053334
2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-methylacetamide
CID 113160069
3-[acetyl(3-methoxypropyl)amino]-N-(2,6-diethylphenyl)propanamide
CID 113117165
methyl 5-[acetyl(dodecyl)amino]pentanoate
CID 14219899
N-(3-amino-3-sulfanylidenepropyl)-N-(3-methoxypropyl)propanamide
CID 82103541
3-[acetyl(3-methoxypropyl)amino]-N-(2-ethylphenyl)propanamide
CID 113117158
3-[acetyl(2-phenylethyl)amino]-N,N-diethylpropanamide
CID 113120794
N,N-diethylacetamide;N,N-dimethylbutanamide;3-methoxy-N,N-dimethylpropanamide
CID 160545882
2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide
CID 113159992

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(3-methoxypropyl)amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[acetyl(3-methoxypropyl)amino]-N,N-diethylpropanamide (CID 113117131) is 3-[acetyl(3-methoxypropyl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[acetyl(3-methoxypropyl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[acetyl(3-methoxypropyl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCN(CCCOC)C(C)=O.
What is the InChIKey of 3-[acetyl(3-methoxypropyl)amino]-N,N-diethylpropanamide?
The InChIKey is KVUYHSRJAFPBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-14(6-2)13(17)8-10-15(12(3)16)9-7-11-18-4/h5-11H2,1-4H3.
What are the key properties of 3-[acetyl(3-methoxypropyl)amino]-N,N-diethylpropanamide?
3-[acetyl(3-methoxypropyl)amino]-N,N-diethylpropanamide has a molecular weight of 258.36 g/mol, XLogP of 1.13, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(3-methoxypropyl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 113117131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).