9-[(9-ethylcarbazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C23H27N3O2 — CID 56899200

IUPAC9-[(9-ethylcarbazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCn1c2ccccc2c2cc(CN3CCCC4(C3)CN(C)C(=O)O4)ccc21
InChIInChI=1S/C23H27N3O2/c1-3-26-20-8-5-4-7-18(20)19-13-17(9-10-21(19)26)14-25-12-6-11-23(16-25)15-24(2)22(27)28-23/h4-5,7-10,13H,3,6,11-12,14-16H2,1-2H3
InChIKeyMYSQAGGPGNDOAD-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.23
Rot. Bonds3

About 9-[(9-ethylcarbazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one

9-[(9-ethylcarbazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 56899200) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 9-[(9-ethylcarbazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-[(9-ethylcarbazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID56899200
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name9-[(9-ethylcarbazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCCn1c2ccccc2c2cc(CN3CCCC4(C3)CN(C)C(=O)O4)ccc21
InChIInChI=1S/C23H27N3O2/c1-3-26-20-8-5-4-7-18(20)19-13-17(9-10-21(19)26)14-25-12-6-11-23(16-25)15-24(2)22(27)28-23/h4-5,7-10,13H,3,6,11-12,14-16H2,1-2H3
InChIKeyMYSQAGGPGNDOAD-UHFFFAOYSA-N
XLogP4.23
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-9-[(1-methyl-2-oxoquinolin-3-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56886578
9-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56912030
8-(dibenzofuran-2-ylmethyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70721237
methyl 2-hydroxy-5-[(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decan-9-yl)methyl]benzoate
CID 56895309
(5S)-9-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95897113
9-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 70783768
8-[(9-ethylcarbazol-3-yl)methyl]-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26222110
8-[(9-ethylcarbazol-3-yl)methyl]-1-methoxy-1,8-diazaspiro[4.5]decan-2-one
CID 71687450
9-[(2,3-dimethyl-1H-indol-7-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56906368
9-ethyl-3-(piperazin-1-ylmethyl)carbazole;hydrochloride
CID 156592203
9-ethyl-3-(piperazin-1-ylmethyl)carbazole;dihydrochloride
CID 75531489
(5R)-9-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99927907

Frequently Asked Questions

What is the IUPAC name of 9-[(9-ethylcarbazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-[(9-ethylcarbazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 56899200) is 9-[(9-ethylcarbazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-[(9-ethylcarbazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-[(9-ethylcarbazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CCn1c2ccccc2c2cc(CN3CCCC4(C3)CN(C)C(=O)O4)ccc21.
What is the InChIKey of 9-[(9-ethylcarbazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is MYSQAGGPGNDOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-3-26-20-8-5-4-7-18(20)19-13-17(9-10-21(19)26)14-25-12-6-11-23(16-25)15-24(2)22(27)28-23/h4-5,7-10,13H,3,6,11-12,14-16H2,1-2H3.
What are the key properties of 9-[(9-ethylcarbazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
9-[(9-ethylcarbazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 377.49 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(9-ethylcarbazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56899200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).