(5R,6R)-N-(cyclopropylmethyl)-6-methyl-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

C20H34N2O3 — CID 134690499

IUPAC(5R,6R)-N-(cyclopropylmethyl)-6-methyl-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESC[C@@H]1CN(CC2CCOCC2)CC[C@]12CCC(C(=O)NCC1CC1)O2
InChIInChI=1S/C20H34N2O3/c1-15-13-22(14-17-5-10-24-11-6-17)9-8-20(15)7-4-18(25-20)19(23)21-12-16-2-3-16/h15-18H,2-14H2,1H3,(H,21,23)/t15-,18?,20-/m1/s1
InChIKeyVMSGVIJDWCJFDD-FBOUHOSPSA-N
MW350.50 g/mol
LogP2.20
Rot. Bonds5

About (5R,6R)-N-(cyclopropylmethyl)-6-methyl-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

(5R,6R)-N-(cyclopropylmethyl)-6-methyl-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (PubChem CID 134690499) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is (5R,6R)-N-(cyclopropylmethyl)-6-methyl-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5R,6R)-N-(cyclopropylmethyl)-6-methyl-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
PubChem CID134690499
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC Name(5R,6R)-N-(cyclopropylmethyl)-6-methyl-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
SMILESC[C@@H]1CN(CC2CCOCC2)CC[C@]12CCC(C(=O)NCC1CC1)O2
InChIInChI=1S/C20H34N2O3/c1-15-13-22(14-17-5-10-24-11-6-17)9-8-20(15)7-4-18(25-20)19(23)21-12-16-2-3-16/h15-18H,2-14H2,1H3,(H,21,23)/t15-,18?,20-/m1/s1
InChIKeyVMSGVIJDWCJFDD-FBOUHOSPSA-N
XLogP2.20
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-N-(cyclopropylmethyl)-6-methyl-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5R,6R)-N-(cyclopropylmethyl)-6-methyl-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (CID 134690499) is (5R,6R)-N-(cyclopropylmethyl)-6-methyl-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5R,6R)-N-(cyclopropylmethyl)-6-methyl-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5R,6R)-N-(cyclopropylmethyl)-6-methyl-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is C[C@@H]1CN(CC2CCOCC2)CC[C@]12CCC(C(=O)NCC1CC1)O2.
What is the InChIKey of (5R,6R)-N-(cyclopropylmethyl)-6-methyl-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is VMSGVIJDWCJFDD-FBOUHOSPSA-N. The full InChI is InChI=1S/C20H34N2O3/c1-15-13-22(14-17-5-10-24-11-6-17)9-8-20(15)7-4-18(25-20)19(23)21-12-16-2-3-16/h15-18H,2-14H2,1H3,(H,21,23)/t15-,18?,20-/m1/s1.
What are the key properties of (5R,6R)-N-(cyclopropylmethyl)-6-methyl-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?
(5R,6R)-N-(cyclopropylmethyl)-6-methyl-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 350.50 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-N-(cyclopropylmethyl)-6-methyl-8-(oxan-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 134690499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).