[8-(3,5-dimethylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone

C22H30N2O3 — CID 134076509

IUPAC[8-(3,5-dimethylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(C)cc(C(=O)N2CCC3(CCC(C(=O)N4CCCC4)O3)CC2)c1
InChIInChI=1S/C22H30N2O3/c1-16-13-17(2)15-18(14-16)20(25)24-11-7-22(8-12-24)6-5-19(27-22)21(26)23-9-3-4-10-23/h13-15,19H,3-12H2,1-2H3
InChIKeyMQDPHJYTVNNVLN-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.08
Rot. Bonds2

About [8-(3,5-dimethylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone

[8-(3,5-dimethylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 134076509) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is [8-(3,5-dimethylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[8-(3,5-dimethylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID134076509
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name[8-(3,5-dimethylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(C)cc(C(=O)N2CCC3(CCC(C(=O)N4CCCC4)O3)CC2)c1
InChIInChI=1S/C22H30N2O3/c1-16-13-17(2)15-18(14-16)20(25)24-11-7-22(8-12-24)6-5-19(27-22)21(26)23-9-3-4-10-23/h13-15,19H,3-12H2,1-2H3
InChIKeyMQDPHJYTVNNVLN-UHFFFAOYSA-N
XLogP3.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[8-(furan-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 131649618
(4-methylcyclohexyl)-[2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 155871707
(3,5-dimethylphenyl)-pyrrolidin-1-ylmethanone;ethane;methoxymethane
CID 142986703
[(2R)-8-(cyclopropylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97383891
[(6R)-5-oxa-2-azaspiro[3.4]octan-6-yl]-pyrrolidin-1-ylmethanone
CID 97399286
N-(2-ethylphenyl)-2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 134076802
[(2R)-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97383858
(3,5-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 17250049
N-[9-(3,5-dimethylbenzoyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide
CID 131680205
pyrrolidin-1-yl-[(2R)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone
CID 97383852
1-(3,5-dimethylbenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123254
[3-(4-chlorophenyl)azepan-1-yl]-(3,5-dimethylphenyl)methanone
CID 121146472

Frequently Asked Questions

What is the IUPAC name of [8-(3,5-dimethylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [8-(3,5-dimethylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone (CID 134076509) is [8-(3,5-dimethylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [8-(3,5-dimethylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [8-(3,5-dimethylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone is Cc1cc(C)cc(C(=O)N2CCC3(CCC(C(=O)N4CCCC4)O3)CC2)c1.
What is the InChIKey of [8-(3,5-dimethylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is MQDPHJYTVNNVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-16-13-17(2)15-18(14-16)20(25)24-11-7-22(8-12-24)6-5-19(27-22)21(26)23-9-3-4-10-23/h13-15,19H,3-12H2,1-2H3.
What are the key properties of [8-(3,5-dimethylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone?
[8-(3,5-dimethylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 370.49 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(3,5-dimethylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134076509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).