N-(2-methylpropyl)-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanamide

C17H32N2O2 — CID 102897768

IUPACN-(2-methylpropyl)-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanamide
SMILESCC(C)CNC(=O)CCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H32N2O2/c1-14(2)12-19-16(20)7-11-18-13-15-6-10-17(21-15)8-4-3-5-9-17/h14-15,18H,3-13H2,1-2H3,(H,19,20)
InChIKeyLDTIBHKDQMJXFW-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.62
Rot. Bonds7

About N-(2-methylpropyl)-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanamide

N-(2-methylpropyl)-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanamide (PubChem CID 102897768) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanamide
PubChem CID102897768
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN-(2-methylpropyl)-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanamide
SMILESCC(C)CNC(=O)CCNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H32N2O2/c1-14(2)12-19-16(20)7-11-18-13-15-6-10-17(21-15)8-4-3-5-9-17/h14-15,18H,3-13H2,1-2H3,(H,19,20)
InChIKeyLDTIBHKDQMJXFW-UHFFFAOYSA-N
XLogP2.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
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
2-(1-oxaspiro[4.4]nonan-2-ylmethylamino)-N-propan-2-ylacetamide
CID 102896860
N,N-diethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanamide
CID 102897771
2-chloro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102900792
N-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butanamide
CID 102897486
2-(2-methylpropoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897891
2-(3-methylbutoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897138
methyl 2-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanoate
CID 103491800
2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102900965
N-(2-methoxyethyl)-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)acetamide
CID 102897739
2-(2-methylpropoxy)-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897890
2,3,3-trimethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102897716

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanamide?
The IUPAC name of N-(2-methylpropyl)-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanamide (CID 102897768) is N-(2-methylpropyl)-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanamide.
What is the SMILES notation for N-(2-methylpropyl)-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanamide?
The canonical SMILES for N-(2-methylpropyl)-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanamide is CC(C)CNC(=O)CCNCC1CCC2(CCCCC2)O1.
What is the InChIKey of N-(2-methylpropyl)-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanamide?
The InChIKey is LDTIBHKDQMJXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-14(2)12-19-16(20)7-11-18-13-15-6-10-17(21-15)8-4-3-5-9-17/h14-15,18H,3-13H2,1-2H3,(H,19,20).
What are the key properties of N-(2-methylpropyl)-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanamide?
N-(2-methylpropyl)-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanamide has a molecular weight of 296.45 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanamide is sourced from PubChem (CID 102897768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).