(3S)-8-methyl-4-propanoyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

C16H28N2O3 — CID 97478080

IUPAC(3S)-8-methyl-4-propanoyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCCCNC(=O)[C@@H]1COC2(CCC(C)CC2)N1C(=O)CC
InChIInChI=1S/C16H28N2O3/c1-4-10-17-15(20)13-11-21-16(18(13)14(19)5-2)8-6-12(3)7-9-16/h12-13H,4-11H2,1-3H3,(H,17,20)/t12?,13-,16?/m0/s1
InChIKeyYYVXJTRLESMPKO-UYJPIKCFSA-N
MW296.41 g/mol
LogP2.06
Rot. Bonds4

About (3S)-8-methyl-4-propanoyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

(3S)-8-methyl-4-propanoyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 97478080) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is (3S)-8-methyl-4-propanoyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name(3S)-8-methyl-4-propanoyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
PubChem CID97478080
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name(3S)-8-methyl-4-propanoyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCCCNC(=O)[C@@H]1COC2(CCC(C)CC2)N1C(=O)CC
InChIInChI=1S/C16H28N2O3/c1-4-10-17-15(20)13-11-21-16(18(13)14(19)5-2)8-6-12(3)7-9-16/h12-13H,4-11H2,1-3H3,(H,17,20)/t12?,13-,16?/m0/s1
InChIKeyYYVXJTRLESMPKO-UYJPIKCFSA-N
XLogP2.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methyl-N-(oxolan-2-ylmethyl)-4-propanoyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71956305
4-(cyclopropanecarbonyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 42669897
4-Propanoyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 42669899
4-(cyclopentanecarbonyl)-N,8-dimethyl-N-propan-2-yl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 46110641
4-(cyclopentanecarbonyl)-8-methyl-N-(1-methylpiperidin-4-yl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 46110645
7-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71819783
8-methyl-4-propanoyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71956171
8-Methyl-N-(propan-2-YL)-4-propanoyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71956174
8-methyl-4-(3-methylbutanoyl)-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71956178
N-Cyclopropyl-8-methyl-4-(3-methylbutanoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71956309
(4S)-N-(cyclohexylmethyl)-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 124877387
4-(3,3-dimethylbutanoyl)-8-methyl-N-propan-2-yl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 24712546

Frequently Asked Questions

What is the IUPAC name of (3S)-8-methyl-4-propanoyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of (3S)-8-methyl-4-propanoyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 97478080) is (3S)-8-methyl-4-propanoyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for (3S)-8-methyl-4-propanoyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for (3S)-8-methyl-4-propanoyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is CCCNC(=O)[C@@H]1COC2(CCC(C)CC2)N1C(=O)CC.
What is the InChIKey of (3S)-8-methyl-4-propanoyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is YYVXJTRLESMPKO-UYJPIKCFSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-4-10-17-15(20)13-11-21-16(18(13)14(19)5-2)8-6-12(3)7-9-16/h12-13H,4-11H2,1-3H3,(H,17,20)/t12?,13-,16?/m0/s1.
What are the key properties of (3S)-8-methyl-4-propanoyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
(3S)-8-methyl-4-propanoyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-methyl-4-propanoyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 97478080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).