(4S)-4-N-(cyclopropylmethyl)-2-N,2-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide

C16H27N3O3 — CID 97375336

IUPAC(4S)-4-N-(cyclopropylmethyl)-2-N,2-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
SMILESCN(C)C(=O)N1C[C@@H](C(=O)NCC2CC2)C2(CCOCC2)C1
InChIInChI=1S/C16H27N3O3/c1-18(2)15(21)19-10-13(14(20)17-9-12-3-4-12)16(11-19)5-7-22-8-6-16/h12-13H,3-11H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyGDQDWNISWQTSTF-ZDUSSCGKSA-N
MW309.41 g/mol
LogP0.92
Rot. Bonds3

About (4S)-4-N-(cyclopropylmethyl)-2-N,2-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide

(4S)-4-N-(cyclopropylmethyl)-2-N,2-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide (PubChem CID 97375336) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is (4S)-4-N-(cyclopropylmethyl)-2-N,2-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide.

Molecular Properties

Compound Name(4S)-4-N-(cyclopropylmethyl)-2-N,2-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
PubChem CID97375336
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name(4S)-4-N-(cyclopropylmethyl)-2-N,2-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
SMILESCN(C)C(=O)N1C[C@@H](C(=O)NCC2CC2)C2(CCOCC2)C1
InChIInChI=1S/C16H27N3O3/c1-18(2)15(21)19-10-13(14(20)17-9-12-3-4-12)16(11-19)5-7-22-8-6-16/h12-13H,3-11H2,1-2H3,(H,17,20)/t13-/m0/s1
InChIKeyGDQDWNISWQTSTF-ZDUSSCGKSA-N
XLogP0.92
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-N-(cyclopropylmethyl)-2-N,2-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The IUPAC name of (4S)-4-N-(cyclopropylmethyl)-2-N,2-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide (CID 97375336) is (4S)-4-N-(cyclopropylmethyl)-2-N,2-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide.
What is the SMILES notation for (4S)-4-N-(cyclopropylmethyl)-2-N,2-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The canonical SMILES for (4S)-4-N-(cyclopropylmethyl)-2-N,2-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide is CN(C)C(=O)N1C[C@@H](C(=O)NCC2CC2)C2(CCOCC2)C1.
What is the InChIKey of (4S)-4-N-(cyclopropylmethyl)-2-N,2-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
The InChIKey is GDQDWNISWQTSTF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-18(2)15(21)19-10-13(14(20)17-9-12-3-4-12)16(11-19)5-7-22-8-6-16/h12-13H,3-11H2,1-2H3,(H,17,20)/t13-/m0/s1.
What are the key properties of (4S)-4-N-(cyclopropylmethyl)-2-N,2-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide?
(4S)-4-N-(cyclopropylmethyl)-2-N,2-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide has a molecular weight of 309.41 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-N-(cyclopropylmethyl)-2-N,2-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide is sourced from PubChem (CID 97375336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).