2-methyl-1-[4-(4-methylpentyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one

C18H34N2O2 — CID 155455485

IUPAC2-methyl-1-[4-(4-methylpentyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
SMILESCC(C)CCCN1CCOC2(CCN(C(=O)C(C)C)CC2)C1
InChIInChI=1S/C18H34N2O2/c1-15(2)6-5-9-19-12-13-22-18(14-19)7-10-20(11-8-18)17(21)16(3)4/h15-16H,5-14H2,1-4H3
InChIKeyOTCFAHFFZHPZHL-UHFFFAOYSA-N
MW310.48 g/mol
LogP2.77
Rot. Bonds5

About 2-methyl-1-[4-(4-methylpentyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one

2-methyl-1-[4-(4-methylpentyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one (PubChem CID 155455485) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 2-methyl-1-[4-(4-methylpentyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(4-methylpentyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
PubChem CID155455485
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name2-methyl-1-[4-(4-methylpentyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
SMILESCC(C)CCCN1CCOC2(CCN(C(=O)C(C)C)CC2)C1
InChIInChI=1S/C18H34N2O2/c1-15(2)6-5-9-19-12-13-22-18(14-19)7-10-20(11-8-18)17(21)16(3)4/h15-16H,5-14H2,1-4H3
InChIKeyOTCFAHFFZHPZHL-UHFFFAOYSA-N
XLogP2.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(4-methylpentyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(4-methylpentyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one (CID 155455485) is 2-methyl-1-[4-(4-methylpentyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(4-methylpentyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(4-methylpentyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one is CC(C)CCCN1CCOC2(CCN(C(=O)C(C)C)CC2)C1.
What is the InChIKey of 2-methyl-1-[4-(4-methylpentyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one?
The InChIKey is OTCFAHFFZHPZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-15(2)6-5-9-19-12-13-22-18(14-19)7-10-20(11-8-18)17(21)16(3)4/h15-16H,5-14H2,1-4H3.
What are the key properties of 2-methyl-1-[4-(4-methylpentyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one?
2-methyl-1-[4-(4-methylpentyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one has a molecular weight of 310.48 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(4-methylpentyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]propan-1-one is sourced from PubChem (CID 155455485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).