2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N,N-diethylpropanamide

C16H30N2O3 — CID 79118803

IUPAC2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H30N2O3/c1-5-18(6-2)15(19)13(3)17(4)14-7-9-16(10-8-14)20-11-12-21-16/h13-14H,5-12H2,1-4H3
InChIKeyBXNNGBDQAVZCSK-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.86
Rot. Bonds5

About 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N,N-diethylpropanamide

2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N,N-diethylpropanamide (PubChem CID 79118803) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N,N-diethylpropanamide
PubChem CID79118803
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N(C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C16H30N2O3/c1-5-18(6-2)15(19)13(3)17(4)14-7-9-16(10-8-14)20-11-12-21-16/h13-14H,5-12H2,1-4H3
InChIKeyBXNNGBDQAVZCSK-UHFFFAOYSA-N
XLogP1.86
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N,N-diethylpropanamide?
The IUPAC name of 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N,N-diethylpropanamide (CID 79118803) is 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)N(C)C1CCC2(CC1)OCCO2.
What is the InChIKey of 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N,N-diethylpropanamide?
The InChIKey is BXNNGBDQAVZCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-18(6-2)15(19)13(3)17(4)14-7-9-16(10-8-14)20-11-12-21-16/h13-14H,5-12H2,1-4H3.
What are the key properties of 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N,N-diethylpropanamide?
2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N,N-diethylpropanamide has a molecular weight of 298.43 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,4-dioxaspiro[4.5]decan-8-yl(methyl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 79118803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).