2-[(2,2-diethyloxan-4-yl)amino]-N-methylacetamide

C12H24N2O2 — CID 83032578

IUPAC2-[(2,2-diethyloxan-4-yl)amino]-N-methylacetamide
SMILESCCC1(CC)CC(NCC(=O)NC)CCO1
InChIInChI=1S/C12H24N2O2/c1-4-12(5-2)8-10(6-7-16-12)14-9-11(15)13-3/h10,14H,4-9H2,1-3H3,(H,13,15)
InChIKeyDNBVCIZXFZKCEU-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.06
Rot. Bonds5

About 2-[(2,2-diethyloxan-4-yl)amino]-N-methylacetamide

2-[(2,2-diethyloxan-4-yl)amino]-N-methylacetamide (PubChem CID 83032578) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[(2,2-diethyloxan-4-yl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2,2-diethyloxan-4-yl)amino]-N-methylacetamide
PubChem CID83032578
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[(2,2-diethyloxan-4-yl)amino]-N-methylacetamide
SMILESCCC1(CC)CC(NCC(=O)NC)CCO1
InChIInChI=1S/C12H24N2O2/c1-4-12(5-2)8-10(6-7-16-12)14-9-11(15)13-3/h10,14H,4-9H2,1-3H3,(H,13,15)
InChIKeyDNBVCIZXFZKCEU-UHFFFAOYSA-N
XLogP1.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[(2,2-diethyloxan-4-yl)amino]acetamide
CID 83032670
2-[(2,2-diethyloxan-4-yl)amino]-N-(oxan-4-yl)acetamide
CID 83036427
N-carbamoyl-2-[(2,2-diethyloxan-4-yl)amino]acetamide
CID 83032833
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-methylacetamide
CID 79897971
2-[(2,2-diethyloxan-4-yl)amino]-1-morpholin-4-ylethanone
CID 83033676
methyl 3-[(2,2-diethyloxan-4-yl)amino]-2-methylpropanoate
CID 83033168
2,2-diethyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 83033348
N-(2,2-dimethylpropyl)-2,2-diethyloxan-4-amine
CID 82760396
N-(2,2-diethyloxan-4-yl)-2-(prop-2-enylamino)acetamide
CID 83028302
N-(2,2-diethyloxan-4-yl)prop-2-enamide
CID 83032720
1-(2,2-diethyloxan-4-yl)-3-propylurea
CID 115865557
2-[(2,2-diethyloxan-4-yl)amino]-N-propylpropanamide
CID 83032657

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-diethyloxan-4-yl)amino]-N-methylacetamide?
The IUPAC name of 2-[(2,2-diethyloxan-4-yl)amino]-N-methylacetamide (CID 83032578) is 2-[(2,2-diethyloxan-4-yl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[(2,2-diethyloxan-4-yl)amino]-N-methylacetamide?
The canonical SMILES for 2-[(2,2-diethyloxan-4-yl)amino]-N-methylacetamide is CCC1(CC)CC(NCC(=O)NC)CCO1.
What is the InChIKey of 2-[(2,2-diethyloxan-4-yl)amino]-N-methylacetamide?
The InChIKey is DNBVCIZXFZKCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-12(5-2)8-10(6-7-16-12)14-9-11(15)13-3/h10,14H,4-9H2,1-3H3,(H,13,15).
What are the key properties of 2-[(2,2-diethyloxan-4-yl)amino]-N-methylacetamide?
2-[(2,2-diethyloxan-4-yl)amino]-N-methylacetamide has a molecular weight of 228.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-diethyloxan-4-yl)amino]-N-methylacetamide is sourced from PubChem (CID 83032578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).