3-(2-aminoethoxy)-N-methyl-N-(oxan-4-ylmethyl)propanamide

C12H24N2O3 — CID 112739036

IUPAC3-(2-aminoethoxy)-N-methyl-N-(oxan-4-ylmethyl)propanamide
SMILESCN(CC1CCOCC1)C(=O)CCOCCN
InChIInChI=1S/C12H24N2O3/c1-14(10-11-2-6-16-7-3-11)12(15)4-8-17-9-5-13/h11H,2-10,13H2,1H3
InChIKeyWPOAKRBGDOXQLU-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.24
Rot. Bonds7

About 3-(2-aminoethoxy)-N-methyl-N-(oxan-4-ylmethyl)propanamide

3-(2-aminoethoxy)-N-methyl-N-(oxan-4-ylmethyl)propanamide (PubChem CID 112739036) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-N-methyl-N-(oxan-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(2-aminoethoxy)-N-methyl-N-(oxan-4-ylmethyl)propanamide
PubChem CID112739036
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-(2-aminoethoxy)-N-methyl-N-(oxan-4-ylmethyl)propanamide
SMILESCN(CC1CCOCC1)C(=O)CCOCCN
InChIInChI=1S/C12H24N2O3/c1-14(10-11-2-6-16-7-3-11)12(15)4-8-17-9-5-13/h11H,2-10,13H2,1H3
InChIKeyWPOAKRBGDOXQLU-UHFFFAOYSA-N
XLogP0.24
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.24
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-(2-aminoethoxy)-N-(cyclobutylmethyl)-N-methylacetamide
CID 79479227
5-amino-N-methyl-N-(oxan-4-ylmethyl)hexanamide
CID 82852241
tert-butyl N-[3-[methyl(oxan-4-ylmethyl)amino]-3-oxopropyl]carbamate
CID 63706668
3-(2-aminoethoxy)-N-ethyl-N-methylpropanamide
CID 162436526
2-(4-aminocyclohexyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide
CID 55226080
4-amino-N-(cyclopropylmethyl)-N-methylbutanamide
CID 60946266
2-amino-N-[2-[methyl(oxan-4-ylmethyl)amino]-2-oxoethyl]acetamide
CID 63707976
3-amino-N-methyl-N-(oxan-3-ylmethyl)propanamide
CID 63712787
4-amino-N-methyl-N-[2-(oxan-4-yl)ethyl]butanamide
CID 115155515
2-(1-aminocyclobutyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide
CID 79853707
4-[3-[methyl-[[(3S)-oxolan-3-yl]methyl]amino]-3-oxopropoxy]benzamide
CID 99814284
N-methyl-N-(oxan-4-ylmethyl)-3-piperidin-3-ylpropanamide
CID 63706973

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-N-methyl-N-(oxan-4-ylmethyl)propanamide?
The IUPAC name of 3-(2-aminoethoxy)-N-methyl-N-(oxan-4-ylmethyl)propanamide (CID 112739036) is 3-(2-aminoethoxy)-N-methyl-N-(oxan-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(2-aminoethoxy)-N-methyl-N-(oxan-4-ylmethyl)propanamide?
The canonical SMILES for 3-(2-aminoethoxy)-N-methyl-N-(oxan-4-ylmethyl)propanamide is CN(CC1CCOCC1)C(=O)CCOCCN.
What is the InChIKey of 3-(2-aminoethoxy)-N-methyl-N-(oxan-4-ylmethyl)propanamide?
The InChIKey is WPOAKRBGDOXQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-14(10-11-2-6-16-7-3-11)12(15)4-8-17-9-5-13/h11H,2-10,13H2,1H3.
What are the key properties of 3-(2-aminoethoxy)-N-methyl-N-(oxan-4-ylmethyl)propanamide?
3-(2-aminoethoxy)-N-methyl-N-(oxan-4-ylmethyl)propanamide has a molecular weight of 244.33 g/mol, XLogP of 0.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-N-methyl-N-(oxan-4-ylmethyl)propanamide is sourced from PubChem (CID 112739036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).