4-(1-oxaspiro[4.6]undecan-2-ylmethylamino)oxane-4-carboxamide

C17H30N2O3 — CID 167832821

IUPAC4-(1-oxaspiro[4.6]undecan-2-ylmethylamino)oxane-4-carboxamide
SMILESNC(=O)C1(NCC2CCC3(CCCCCC3)O2)CCOCC1
InChIInChI=1S/C17H30N2O3/c18-15(20)17(9-11-21-12-10-17)19-13-14-5-8-16(22-14)6-3-1-2-4-7-16/h14,19H,1-13H2,(H2,18,20)
InChIKeyQCQDZDIWQYTNOP-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.88
Rot. Bonds4

About 4-(1-oxaspiro[4.6]undecan-2-ylmethylamino)oxane-4-carboxamide

4-(1-oxaspiro[4.6]undecan-2-ylmethylamino)oxane-4-carboxamide (PubChem CID 167832821) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 4-(1-oxaspiro[4.6]undecan-2-ylmethylamino)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(1-oxaspiro[4.6]undecan-2-ylmethylamino)oxane-4-carboxamide
PubChem CID167832821
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name4-(1-oxaspiro[4.6]undecan-2-ylmethylamino)oxane-4-carboxamide
SMILESNC(=O)C1(NCC2CCC3(CCCCCC3)O2)CCOCC1
InChIInChI=1S/C17H30N2O3/c18-15(20)17(9-11-21-12-10-17)19-13-14-5-8-16(22-14)6-3-1-2-4-7-16/h14,19H,1-13H2,(H2,18,20)
InChIKeyQCQDZDIWQYTNOP-UHFFFAOYSA-N
XLogP1.88
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-oxaspiro[4.5]decan-2-ylmethylamino)oxyacetamide
CID 102897726
2-bromo-N-(1-oxaspiro[4.5]decan-2-ylmethyl)prop-2-en-1-amine
CID 102897807
3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propanoic acid
CID 102899126
methyl 2-chloro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propanoate
CID 103491800
N-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)methanamine
CID 102896520
N-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentanamine
CID 102896553
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
2-cyclopropyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897426
N'-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethane-1,2-diamine
CID 102897171
1,1-dimethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)hydrazine
CID 102897694
2-bromo-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102900965
N-tert-butyl-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)acetamide
CID 102897648

Frequently Asked Questions

What is the IUPAC name of 4-(1-oxaspiro[4.6]undecan-2-ylmethylamino)oxane-4-carboxamide?
The IUPAC name of 4-(1-oxaspiro[4.6]undecan-2-ylmethylamino)oxane-4-carboxamide (CID 167832821) is 4-(1-oxaspiro[4.6]undecan-2-ylmethylamino)oxane-4-carboxamide.
What is the SMILES notation for 4-(1-oxaspiro[4.6]undecan-2-ylmethylamino)oxane-4-carboxamide?
The canonical SMILES for 4-(1-oxaspiro[4.6]undecan-2-ylmethylamino)oxane-4-carboxamide is NC(=O)C1(NCC2CCC3(CCCCCC3)O2)CCOCC1.
What is the InChIKey of 4-(1-oxaspiro[4.6]undecan-2-ylmethylamino)oxane-4-carboxamide?
The InChIKey is QCQDZDIWQYTNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c18-15(20)17(9-11-21-12-10-17)19-13-14-5-8-16(22-14)6-3-1-2-4-7-16/h14,19H,1-13H2,(H2,18,20).
What are the key properties of 4-(1-oxaspiro[4.6]undecan-2-ylmethylamino)oxane-4-carboxamide?
4-(1-oxaspiro[4.6]undecan-2-ylmethylamino)oxane-4-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxaspiro[4.6]undecan-2-ylmethylamino)oxane-4-carboxamide is sourced from PubChem (CID 167832821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).