2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-methylacetamide

C13H26N2O3 — CID 113160069

IUPAC2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)CN(CCCOC)C(C)=O
InChIInChI=1S/C13H26N2O3/c1-5-6-8-14(3)13(17)11-15(12(2)16)9-7-10-18-4/h5-11H2,1-4H3
InChIKeyNLKFHRSWNGQUCI-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.13
Rot. Bonds9

About 2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-methylacetamide

2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-methylacetamide (PubChem CID 113160069) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-methylacetamide.

Molecular Properties

Compound Name2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-methylacetamide
PubChem CID113160069
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)CN(CCCOC)C(C)=O
InChIInChI=1S/C13H26N2O3/c1-5-6-8-14(3)13(17)11-15(12(2)16)9-7-10-18-4/h5-11H2,1-4H3
InChIKeyNLKFHRSWNGQUCI-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

2-[acetyl(butyl)amino]-N-methoxy-N-methylacetamide
CID 54528314
2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide
CID 113159992
N-butyl-N-methylacetamide;ethane;N-(2-methoxyethyl)-N-methylacetamide
CID 142151039
2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4286427
N-[2-[butyl(methyl)amino]-2-oxoethyl]-N-ethylbutanamide
CID 142102224
2-[acetyl(3-methoxypropyl)amino]-N-methyl-N-phenylacetamide
CID 113160082
3-[acetyl(3-methoxypropyl)amino]-N,N-diethylpropanamide
CID 113117131
N-(3-aminopropyl)-2-[3-methoxypropyl(methyl)amino]-N-methylacetamide
CID 62984269
N'-butyl-N-(3-methoxypropyl)-N'-methylpropanediamide
CID 108943305
3-[acetyl(butyl)amino]-N-(3-methoxypropyl)propanamide
CID 113115724
N-butyl-N-methylacetamide;ethane
CID 142088805
N-(3-methoxypropyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113159997

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-methylacetamide?
The IUPAC name of 2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-methylacetamide (CID 113160069) is 2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-methylacetamide.
What is the SMILES notation for 2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-methylacetamide?
The canonical SMILES for 2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-methylacetamide is CCCCN(C)C(=O)CN(CCCOC)C(C)=O.
What is the InChIKey of 2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-methylacetamide?
The InChIKey is NLKFHRSWNGQUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-5-6-8-14(3)13(17)11-15(12(2)16)9-7-10-18-4/h5-11H2,1-4H3.
What are the key properties of 2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-methylacetamide?
2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-methylacetamide 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 2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-methylacetamide is sourced from PubChem (CID 113160069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).