3-[acetyl(oxolan-2-ylmethyl)amino]-N,N-diethylpropanamide

C14H26N2O3 — CID 113117319

IUPAC3-[acetyl(oxolan-2-ylmethyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCN(CC1CCCO1)C(C)=O
InChIInChI=1S/C14H26N2O3/c1-4-15(5-2)14(18)8-9-16(12(3)17)11-13-7-6-10-19-13/h13H,4-11H2,1-3H3
InChIKeyITGNWAMBDMHSPZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.27
Rot. Bonds7

About 3-[acetyl(oxolan-2-ylmethyl)amino]-N,N-diethylpropanamide

3-[acetyl(oxolan-2-ylmethyl)amino]-N,N-diethylpropanamide (PubChem CID 113117319) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[acetyl(oxolan-2-ylmethyl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[acetyl(oxolan-2-ylmethyl)amino]-N,N-diethylpropanamide
PubChem CID113117319
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[acetyl(oxolan-2-ylmethyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCN(CC1CCCO1)C(C)=O
InChIInChI=1S/C14H26N2O3/c1-4-15(5-2)14(18)8-9-16(12(3)17)11-13-7-6-10-19-13/h13H,4-11H2,1-3H3
InChIKeyITGNWAMBDMHSPZ-UHFFFAOYSA-N
XLogP1.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide
CID 107024574
3-[butanoyl(oxolan-2-ylmethyl)amino]propanoic acid
CID 82323382
methyl N-[2-[acetyl(oxolan-2-ylmethyl)amino]ethyl]carbamate
CID 113053446
6-amino-N-ethyl-4,4-dimethyl-N-(oxolan-2-ylmethyl)hexanamide
CID 65292320
N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
CID 62727320
3-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 64677009
N-ethyl-2-(1-hydroxycyclopentyl)-N-(oxolan-2-ylmethyl)acetamide
CID 111430742
N-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-2-ylpropanamide
CID 62211639
methyl 3-[3-acetamidopropanoyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964014
3-cyclopropyl-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 115590775
2-[2-[ethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569741
N-[2-(4-methylphenyl)ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 71993848

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(oxolan-2-ylmethyl)amino]-N,N-diethylpropanamide?
The IUPAC name of 3-[acetyl(oxolan-2-ylmethyl)amino]-N,N-diethylpropanamide (CID 113117319) is 3-[acetyl(oxolan-2-ylmethyl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[acetyl(oxolan-2-ylmethyl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[acetyl(oxolan-2-ylmethyl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCN(CC1CCCO1)C(C)=O.
What is the InChIKey of 3-[acetyl(oxolan-2-ylmethyl)amino]-N,N-diethylpropanamide?
The InChIKey is ITGNWAMBDMHSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-15(5-2)14(18)8-9-16(12(3)17)11-13-7-6-10-19-13/h13H,4-11H2,1-3H3.
What are the key properties of 3-[acetyl(oxolan-2-ylmethyl)amino]-N,N-diethylpropanamide?
3-[acetyl(oxolan-2-ylmethyl)amino]-N,N-diethylpropanamide has a molecular weight of 270.37 g/mol, XLogP of 1.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(oxolan-2-ylmethyl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 113117319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).