N-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butanamide

C17H30N2O2 — CID 102897486

IUPACN-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butanamide
SMILESO=C(CCCNCC1CCC2(CCCCC2)O1)NC1CC1
InChIInChI=1S/C17H30N2O2/c20-16(19-14-6-7-14)5-4-12-18-13-15-8-11-17(21-15)9-2-1-3-10-17/h14-15,18H,1-13H2,(H,19,20)
InChIKeyJUGXFOFSFUUVIQ-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.52
Rot. Bonds7

About N-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butanamide

N-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butanamide (PubChem CID 102897486) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butanamide
PubChem CID102897486
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC NameN-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butanamide
SMILESO=C(CCCNCC1CCC2(CCCCC2)O1)NC1CC1
InChIInChI=1S/C17H30N2O2/c20-16(19-14-6-7-14)5-4-12-18-13-15-8-11-17(21-15)9-2-1-3-10-17/h14-15,18H,1-13H2,(H,19,20)
InChIKeyJUGXFOFSFUUVIQ-UHFFFAOYSA-N
XLogP2.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.52
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
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102896610
4-(cyclobutylmethylamino)-N-cyclopropylbutanamide
CID 79393715
N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
CID 102897171
N-cyclopropyl-4-[(1-hydroxycyclohexyl)methylamino]butanamide
CID 79394707
N-(2-methylpropyl)-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanamide
CID 102897768
2-[3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propoxy]ethanol
CID 106309924
3-methylsulfanyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102897314
2-cyclopropyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897426
3-[(1-oxaspiro[4.4]nonan-2-ylmethylamino)methyl]cyclobutan-1-ol
CID 102897450
N,N-diethyl-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanamide
CID 102897771
2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102900965

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butanamide?
The IUPAC name of N-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butanamide (CID 102897486) is N-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butanamide.
What is the SMILES notation for N-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butanamide?
The canonical SMILES for N-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butanamide is O=C(CCCNCC1CCC2(CCCCC2)O1)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butanamide?
The InChIKey is JUGXFOFSFUUVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c20-16(19-14-6-7-14)5-4-12-18-13-15-8-11-17(21-15)9-2-1-3-10-17/h14-15,18H,1-13H2,(H,19,20).
What are the key properties of N-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butanamide?
N-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butanamide has a molecular weight of 294.44 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(1-oxaspiro[4.5]decan-2-ylmethylamino)butanamide is sourced from PubChem (CID 102897486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).