N,N-diethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanamide

C16H30N2O2 — CID 102897771

IUPACN,N-diethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanamide
SMILESCCN(CC)C(=O)CCNCC1CCC2(CCCC2)O1
InChIInChI=1S/C16H30N2O2/c1-3-18(4-2)15(19)8-12-17-13-14-7-11-16(20-14)9-5-6-10-16/h14,17H,3-13H2,1-2H3
InChIKeyLBIXSUGGFATSGY-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.33
Rot. Bonds7

About N,N-diethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanamide

N,N-diethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanamide (PubChem CID 102897771) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N,N-diethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanamide
PubChem CID102897771
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN,N-diethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanamide
SMILESCCN(CC)C(=O)CCNCC1CCC2(CCCC2)O1
InChIInChI=1S/C16H30N2O2/c1-3-18(4-2)15(19)8-12-17-13-14-7-11-16(20-14)9-5-6-10-16/h14,17H,3-13H2,1-2H3
InChIKeyLBIXSUGGFATSGY-UHFFFAOYSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoic acid
CID 102899126
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102896610
N,N-diethyl-3-(oxan-2-ylmethylamino)propanamide
CID 113225012
3-(cyclopentylmethylamino)-N,N-diethylpropanamide
CID 62069829
N-(2-methylpropyl)-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanamide
CID 102897768
2-methoxy-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896547
2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102900965
N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
CID 102897171
N-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butanamide
CID 102897486
2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)-N-propan-2-ylacetamide
CID 102896860
N-(2-methoxyethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)acetamide
CID 102897739
2-cyclopropyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897426

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanamide?
The IUPAC name of N,N-diethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanamide (CID 102897771) is N,N-diethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanamide.
What is the SMILES notation for N,N-diethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanamide?
The canonical SMILES for N,N-diethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanamide is CCN(CC)C(=O)CCNCC1CCC2(CCCC2)O1.
What is the InChIKey of N,N-diethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanamide?
The InChIKey is LBIXSUGGFATSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-18(4-2)15(19)8-12-17-13-14-7-11-16(20-14)9-5-6-10-16/h14,17H,3-13H2,1-2H3.
What are the key properties of N,N-diethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanamide?
N,N-diethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanamide has a molecular weight of 282.43 g/mol, XLogP of 2.33, 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-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanamide is sourced from PubChem (CID 102897771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).