N-cyclopropyl-8-(3-hydroxycyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide

C16H23N3O4 — CID 131685924

IUPACN-cyclopropyl-8-(3-hydroxycyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(NC1CC1)C1=NOC2(CCN(C(=O)C3CC(O)C3)CC2)C1
InChIInChI=1S/C16H23N3O4/c20-12-7-10(8-12)15(22)19-5-3-16(4-6-19)9-13(18-23-16)14(21)17-11-1-2-11/h10-12,20H,1-9H2,(H,17,21)
InChIKeyCJCATVRQNGUUCD-UHFFFAOYSA-N
MW321.38 g/mol
LogP0.17
Rot. Bonds3

About N-cyclopropyl-8-(3-hydroxycyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide

N-cyclopropyl-8-(3-hydroxycyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide (PubChem CID 131685924) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-cyclopropyl-8-(3-hydroxycyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-8-(3-hydroxycyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
PubChem CID131685924
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC NameN-cyclopropyl-8-(3-hydroxycyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
SMILESO=C(NC1CC1)C1=NOC2(CCN(C(=O)C3CC(O)C3)CC2)C1
InChIInChI=1S/C16H23N3O4/c20-12-7-10(8-12)15(22)19-5-3-16(4-6-19)9-13(18-23-16)14(21)17-11-1-2-11/h10-12,20H,1-9H2,(H,17,21)
InChIKeyCJCATVRQNGUUCD-UHFFFAOYSA-N
XLogP0.17
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-8-(1-fluorocyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131686652
N-cyclopropyl-8-(1-methyl-1,2,4-triazole-3-carbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131685892
8-(2-chloropyridine-3-carbonyl)-N-cyclopentyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 10222019
N-cyclobutyl-8-[2-(3-methyl-1,2,4-oxadiazol-5-yl)acetyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 131696832
N-cyclobutyl-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 134069854
(3aR,6aS)-N-cyclopropyl-5-(3-hydroxycyclobutanecarbonyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazole-3-carboxamide
CID 131686765
methyl 8-[(1S,2S)-2-cyclohexylcyclopropanecarbonyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate
CID 99701900
N-cyclopropyl-3-(3-hydroxycyclobutanecarbonyl)-1,2,4,5-tetrahydropyrrolo[1,2-d][1,4]diazepine-7-carboxamide
CID 131688992
7-N-cyclopentyl-3-N-[(5-methylpyrazin-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide
CID 131653882
(5S)-N-cyclobutyl-7-[[4-(dimethylamino)phenyl]methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97396180
N-cyclobutyl-5-(3-hydroxycyclobutanecarbonyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131682925
7-N-cyclohexyl-3-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3,7-dicarboxamide
CID 131640383

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-8-(3-hydroxycyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The IUPAC name of N-cyclopropyl-8-(3-hydroxycyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide (CID 131685924) is N-cyclopropyl-8-(3-hydroxycyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-8-(3-hydroxycyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The canonical SMILES for N-cyclopropyl-8-(3-hydroxycyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide is O=C(NC1CC1)C1=NOC2(CCN(C(=O)C3CC(O)C3)CC2)C1.
What is the InChIKey of N-cyclopropyl-8-(3-hydroxycyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
The InChIKey is CJCATVRQNGUUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c20-12-7-10(8-12)15(22)19-5-3-16(4-6-19)9-13(18-23-16)14(21)17-11-1-2-11/h10-12,20H,1-9H2,(H,17,21).
What are the key properties of N-cyclopropyl-8-(3-hydroxycyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide?
N-cyclopropyl-8-(3-hydroxycyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-8-(3-hydroxycyclobutanecarbonyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide is sourced from PubChem (CID 131685924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).