4-(cyclopropanecarbonyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

C16H26N2O3 — CID 42669897

IUPAC4-(cyclopropanecarbonyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCCCNC(=O)C1COC2(CCCCC2)N1C(=O)C1CC1
InChIInChI=1S/C16H26N2O3/c1-2-10-17-14(19)13-11-21-16(8-4-3-5-9-16)18(13)15(20)12-6-7-12/h12-13H,2-11H2,1H3,(H,17,19)
InChIKeyQFNWORUQJXHFBD-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.81
Rot. Bonds4

About 4-(cyclopropanecarbonyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

4-(cyclopropanecarbonyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 42669897) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
PubChem CID42669897
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name4-(cyclopropanecarbonyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCCCNC(=O)C1COC2(CCCCC2)N1C(=O)C1CC1
InChIInChI=1S/C16H26N2O3/c1-2-10-17-14(19)13-11-21-16(8-4-3-5-9-16)18(13)15(20)12-6-7-12/h12-13H,2-11H2,1H3,(H,17,19)
InChIKeyQFNWORUQJXHFBD-UHFFFAOYSA-N
XLogP1.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 84075048
4-Propanoyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 42669899
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
N-Cyclopropyl-8-methyl-4-(3-methylbutanoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71956309
(3S)-8-methyl-4-propanoyl-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 97478080
4-(3,3-dimethylbutanoyl)-8-methyl-N-propan-2-yl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 24712546
4-(cyclopentanecarbonyl)-N-cyclopropyl-7-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 24712548
4-(cyclopropanecarbonyl)-7-methyl-N-(oxolan-2-ylmethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 46140808
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-ethylpentoxy)-1-oxobutan-2-yl]acetamide
CID 164604726
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]acetamide
CID 170755642
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-ethylpentoxy)-1-oxobutan-2-yl]acetamide;ethane
CID 170758672

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 42669897) is 4-(cyclopropanecarbonyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is CCCNC(=O)C1COC2(CCCCC2)N1C(=O)C1CC1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is QFNWORUQJXHFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-2-10-17-14(19)13-11-21-16(8-4-3-5-9-16)18(13)15(20)12-6-7-12/h12-13H,2-11H2,1H3,(H,17,19).
What are the key properties of 4-(cyclopropanecarbonyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
4-(cyclopropanecarbonyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 294.39 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-propyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 42669897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).