4-(cyclopropylmethyl)-8-(3-methylcyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

C18H28N2O4 — CID 131684237

IUPAC4-(cyclopropylmethyl)-8-(3-methylcyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESCC1CC(C(=O)N2CCOCC3(CN(CC4CC4)C(=O)CO3)C2)C1
InChIInChI=1S/C18H28N2O4/c1-13-6-15(7-13)17(22)19-4-5-23-12-18(10-19)11-20(8-14-2-3-14)16(21)9-24-18/h13-15H,2-12H2,1H3
InChIKeyWTTZELCBJQSFOL-UHFFFAOYSA-N
MW336.43 g/mol
LogP0.90
Rot. Bonds3

About 4-(cyclopropylmethyl)-8-(3-methylcyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

4-(cyclopropylmethyl)-8-(3-methylcyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (PubChem CID 131684237) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-8-(3-methylcyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-8-(3-methylcyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
PubChem CID131684237
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name4-(cyclopropylmethyl)-8-(3-methylcyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESCC1CC(C(=O)N2CCOCC3(CN(CC4CC4)C(=O)CO3)C2)C1
InChIInChI=1S/C18H28N2O4/c1-13-6-15(7-13)17(22)19-4-5-23-12-18(10-19)11-20(8-14-2-3-14)16(21)9-24-18/h13-15H,2-12H2,1H3
InChIKeyWTTZELCBJQSFOL-UHFFFAOYSA-N
XLogP0.90
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylmethyl)-8-(4-methylcyclohexanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131684285
4-methyl-8-(3-methylcyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131690779
8-(3,3-difluorocyclobutanecarbonyl)-4-ethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131685023
4-(cyclopropylmethyl)-8-(thiadiazole-4-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131684279
4-(cyclopropylmethyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131652382
1-[(6R)-4-(cyclopropylmethyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]ethanone
CID 97373186
8-(2-cyclopropylacetyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 134077563
2-(cyclopropylmethyl)-8-(oxolane-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 155872829
4-(cyclopropylmethyl)-9-cyclopropylsulfonyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97384702
2-[4-(3,3-difluorocyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide
CID 131683528
cyclopropyl-(8-prop-2-enyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)methanone
CID 155876988
4-(cyclopropylmethyl)-9-(1,3-thiazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471430

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-8-(3-methylcyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 4-(cyclopropylmethyl)-8-(3-methylcyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (CID 131684237) is 4-(cyclopropylmethyl)-8-(3-methylcyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-8-(3-methylcyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 4-(cyclopropylmethyl)-8-(3-methylcyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is CC1CC(C(=O)N2CCOCC3(CN(CC4CC4)C(=O)CO3)C2)C1.
What is the InChIKey of 4-(cyclopropylmethyl)-8-(3-methylcyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The InChIKey is WTTZELCBJQSFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-13-6-15(7-13)17(22)19-4-5-23-12-18(10-19)11-20(8-14-2-3-14)16(21)9-24-18/h13-15H,2-12H2,1H3.
What are the key properties of 4-(cyclopropylmethyl)-8-(3-methylcyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
4-(cyclopropylmethyl)-8-(3-methylcyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one has a molecular weight of 336.43 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-8-(3-methylcyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 131684237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).