N-cyclopropyl-8-methyl-4-(3-methylbutanoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

C18H30N2O3 — CID 71956309

IUPACN-cyclopropyl-8-methyl-4-(3-methylbutanoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCC(C)CC(=O)N1C(C(=O)NC2CC2)COC12CCC(C)CC2
InChIInChI=1S/C18H30N2O3/c1-12(2)10-16(21)20-15(17(22)19-14-4-5-14)11-23-18(20)8-6-13(3)7-9-18/h12-15H,4-11H2,1-3H3,(H,19,22)
InChIKeyIFAKYLRPYIKUEF-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.44
Rot. Bonds4

About N-cyclopropyl-8-methyl-4-(3-methylbutanoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

N-cyclopropyl-8-methyl-4-(3-methylbutanoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 71956309) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-cyclopropyl-8-methyl-4-(3-methylbutanoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-8-methyl-4-(3-methylbutanoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
PubChem CID71956309
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC NameN-cyclopropyl-8-methyl-4-(3-methylbutanoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCC(C)CC(=O)N1C(C(=O)NC2CC2)COC12CCC(C)CC2
InChIInChI=1S/C18H30N2O3/c1-12(2)10-16(21)20-15(17(22)19-14-4-5-14)11-23-18(20)8-6-13(3)7-9-18/h12-15H,4-11H2,1-3H3,(H,19,22)
InChIKeyIFAKYLRPYIKUEF-UHFFFAOYSA-N
XLogP2.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-8-methyl-4-(3-methylbutanoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-cyclopropyl-8-methyl-4-(3-methylbutanoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 71956309) is N-cyclopropyl-8-methyl-4-(3-methylbutanoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-8-methyl-4-(3-methylbutanoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-cyclopropyl-8-methyl-4-(3-methylbutanoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is CC(C)CC(=O)N1C(C(=O)NC2CC2)COC12CCC(C)CC2.
What is the InChIKey of N-cyclopropyl-8-methyl-4-(3-methylbutanoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is IFAKYLRPYIKUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-12(2)10-16(21)20-15(17(22)19-14-4-5-14)11-23-18(20)8-6-13(3)7-9-18/h12-15H,4-11H2,1-3H3,(H,19,22).
What are the key properties of N-cyclopropyl-8-methyl-4-(3-methylbutanoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
N-cyclopropyl-8-methyl-4-(3-methylbutanoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-8-methyl-4-(3-methylbutanoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 71956309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).