N,N-diethyl-3-(oxan-2-ylmethylamino)propanamide

C13H26N2O2 — CID 113225012

IUPACN,N-diethyl-3-(oxan-2-ylmethylamino)propanamide
SMILESCCN(CC)C(=O)CCNCC1CCCCO1
InChIInChI=1S/C13H26N2O2/c1-3-15(4-2)13(16)8-9-14-11-12-7-5-6-10-17-12/h12,14H,3-11H2,1-2H3
InChIKeyZJLXHUUHFLWYFY-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.40
Rot. Bonds7

About N,N-diethyl-3-(oxan-2-ylmethylamino)propanamide

N,N-diethyl-3-(oxan-2-ylmethylamino)propanamide (PubChem CID 113225012) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N,N-diethyl-3-(oxan-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(oxan-2-ylmethylamino)propanamide
PubChem CID113225012
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN,N-diethyl-3-(oxan-2-ylmethylamino)propanamide
SMILESCCN(CC)C(=O)CCNCC1CCCCO1
InChIInChI=1S/C13H26N2O2/c1-3-15(4-2)13(16)8-9-14-11-12-7-5-6-10-17-12/h12,14H,3-11H2,1-2H3
InChIKeyZJLXHUUHFLWYFY-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-diethyl-3-(oxan-2-ylmethylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(cyclopentylmethylamino)-N,N-diethylpropanamide
CID 62069829
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
N,N-diethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanamide
CID 102897771
N',N'-diethyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943661
N,N-diethyl-3-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]propanamide
CID 115585771
4-(oxan-2-ylmethylamino)butanoic acid
CID 43473562
4-methyl-6-(oxan-2-ylmethylamino)hexanoic acid
CID 65289755
N-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62834649
2-(oxan-2-ylmethylamino)ethylurea
CID 83120835
3-ethoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 43403648
N-tert-butyl-3-(oxolan-2-ylmethylamino)propanamide
CID 109016044
3-[acetyl(oxolan-2-ylmethyl)amino]-N,N-diethylpropanamide
CID 113117319

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(oxan-2-ylmethylamino)propanamide?
The IUPAC name of N,N-diethyl-3-(oxan-2-ylmethylamino)propanamide (CID 113225012) is N,N-diethyl-3-(oxan-2-ylmethylamino)propanamide.
What is the SMILES notation for N,N-diethyl-3-(oxan-2-ylmethylamino)propanamide?
The canonical SMILES for N,N-diethyl-3-(oxan-2-ylmethylamino)propanamide is CCN(CC)C(=O)CCNCC1CCCCO1.
What is the InChIKey of N,N-diethyl-3-(oxan-2-ylmethylamino)propanamide?
The InChIKey is ZJLXHUUHFLWYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-15(4-2)13(16)8-9-14-11-12-7-5-6-10-17-12/h12,14H,3-11H2,1-2H3.
What are the key properties of N,N-diethyl-3-(oxan-2-ylmethylamino)propanamide?
N,N-diethyl-3-(oxan-2-ylmethylamino)propanamide has a molecular weight of 242.36 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(oxan-2-ylmethylamino)propanamide is sourced from PubChem (CID 113225012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).