3-amino-N-(2,2-diethyloxan-4-yl)-2-methoxypropanamide

C13H26N2O3 — CID 114145179

IUPAC3-amino-N-(2,2-diethyloxan-4-yl)-2-methoxypropanamide
SMILESCCC1(CC)CC(NC(=O)C(CN)OC)CCO1
InChIInChI=1S/C13H26N2O3/c1-4-13(5-2)8-10(6-7-18-13)15-12(16)11(9-14)17-3/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyCSNZHKQHCYDPDD-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.81
Rot. Bonds6

About 3-amino-N-(2,2-diethyloxan-4-yl)-2-methoxypropanamide

3-amino-N-(2,2-diethyloxan-4-yl)-2-methoxypropanamide (PubChem CID 114145179) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-amino-N-(2,2-diethyloxan-4-yl)-2-methoxypropanamide.

Molecular Properties

Compound Name3-amino-N-(2,2-diethyloxan-4-yl)-2-methoxypropanamide
PubChem CID114145179
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name3-amino-N-(2,2-diethyloxan-4-yl)-2-methoxypropanamide
SMILESCCC1(CC)CC(NC(=O)C(CN)OC)CCO1
InChIInChI=1S/C13H26N2O3/c1-4-13(5-2)8-10(6-7-18-13)15-12(16)11(9-14)17-3/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyCSNZHKQHCYDPDD-UHFFFAOYSA-N
XLogP0.81
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-4-methylpentanamide
CID 83029071
(2S)-2-amino-N-(2,2-diethyloxan-4-yl)-3-methylpentanamide
CID 83029138
2-amino-N-(2,2-diethyloxan-4-yl)-3,3-dimethylbutanamide
CID 112555896
2-amino-N-(2,2-diethyloxan-4-yl)butanediamide
CID 83028377
3-(aminomethyl)-N-(2,2-diethyloxan-4-yl)-5-methylhexanamide
CID 83036657
methyl 3-[(2,2-diethyloxan-4-yl)amino]-2-methylpropanoate
CID 83033168
3-amino-3-cyclopropyl-N-(2,2-diethyloxan-4-yl)propanamide
CID 83028921
(2R)-2-amino-N-(2,2-diethyloxan-4-yl)-4-methylsulfanylbutanamide
CID 104908950
1-(aminomethyl)-N-(2,2-diethyloxan-4-yl)cyclopentane-1-carboxamide
CID 83033815
N-(2,2-diethyloxan-4-yl)prop-2-enamide
CID 83032720
1-amino-N-(2,2-diethyloxan-4-yl)propane-2-sulfonamide
CID 83033488
1-amino-N-(2,2-diethyloxan-4-yl)cyclobutane-1-carboxamide
CID 83028998

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-diethyloxan-4-yl)-2-methoxypropanamide?
The IUPAC name of 3-amino-N-(2,2-diethyloxan-4-yl)-2-methoxypropanamide (CID 114145179) is 3-amino-N-(2,2-diethyloxan-4-yl)-2-methoxypropanamide.
What is the SMILES notation for 3-amino-N-(2,2-diethyloxan-4-yl)-2-methoxypropanamide?
The canonical SMILES for 3-amino-N-(2,2-diethyloxan-4-yl)-2-methoxypropanamide is CCC1(CC)CC(NC(=O)C(CN)OC)CCO1.
What is the InChIKey of 3-amino-N-(2,2-diethyloxan-4-yl)-2-methoxypropanamide?
The InChIKey is CSNZHKQHCYDPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-13(5-2)8-10(6-7-18-13)15-12(16)11(9-14)17-3/h10-11H,4-9,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-N-(2,2-diethyloxan-4-yl)-2-methoxypropanamide?
3-amino-N-(2,2-diethyloxan-4-yl)-2-methoxypropanamide has a molecular weight of 258.36 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-diethyloxan-4-yl)-2-methoxypropanamide is sourced from PubChem (CID 114145179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).