2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)-N-propan-2-ylacetamide

C14H26N2O2 — CID 102896860

IUPAC2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCC1CCC2(CCCC2)O1
InChIInChI=1S/C14H26N2O2/c1-11(2)16-13(17)10-15-9-12-5-8-14(18-12)6-3-4-7-14/h11-12,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyKLSIAXGITKOYQO-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.59
Rot. Bonds5

About 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)-N-propan-2-ylacetamide

2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)-N-propan-2-ylacetamide (PubChem CID 102896860) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)-N-propan-2-ylacetamide
PubChem CID102896860
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNCC1CCC2(CCCC2)O1
InChIInChI=1S/C14H26N2O2/c1-11(2)16-13(17)10-15-9-12-5-8-14(18-12)6-3-4-7-14/h11-12,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyKLSIAXGITKOYQO-UHFFFAOYSA-N
XLogP1.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)acetamide
CID 102897648
N-(2-methoxyethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)acetamide
CID 102897739
N-(2-methylpropyl)-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanamide
CID 102897768
2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102900792
3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoic acid
CID 102899126
2-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine
CID 102897807
methyl 2-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanoate
CID 103491800
2,3,3-trimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102897716
5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid
CID 103239200
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
CID 102896955
1-(1-oxaspiro[4.4]nonan-2-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
CID 102897479

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)-N-propan-2-ylacetamide (CID 102896860) is 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)-N-propan-2-ylacetamide is CC(C)NC(=O)CNCC1CCC2(CCCC2)O1.
What is the InChIKey of 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)-N-propan-2-ylacetamide?
The InChIKey is KLSIAXGITKOYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(2)16-13(17)10-15-9-12-5-8-14(18-12)6-3-4-7-14/h11-12,15H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)-N-propan-2-ylacetamide?
2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)-N-propan-2-ylacetamide has a molecular weight of 254.37 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)-N-propan-2-ylacetamide is sourced from PubChem (CID 102896860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).