7,7-dimethyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

C18H31N3O3 — CID 124619988

IUPAC7,7-dimethyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESC[C@@H](CN1CCCC1=O)NC(=O)N1CC(C)(C)OC2(CCCC2)C1
InChIInChI=1S/C18H31N3O3/c1-14(11-20-10-6-7-15(20)22)19-16(23)21-12-17(2,3)24-18(13-21)8-4-5-9-18/h14H,4-13H2,1-3H3,(H,19,23)/t14-/m0/s1
InChIKeyFRQMODBUXRENAK-AWEZNQCLSA-N
MW337.46 g/mol
LogP2.13
Rot. Bonds3

About 7,7-dimethyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

7,7-dimethyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (PubChem CID 124619988) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 7,7-dimethyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound Name7,7-dimethyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
PubChem CID124619988
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name7,7-dimethyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESC[C@@H](CN1CCCC1=O)NC(=O)N1CC(C)(C)OC2(CCCC2)C1
InChIInChI=1S/C18H31N3O3/c1-14(11-20-10-6-7-15(20)22)19-16(23)21-12-17(2,3)24-18(13-21)8-4-5-9-18/h14H,4-13H2,1-3H3,(H,19,23)/t14-/m0/s1
InChIKeyFRQMODBUXRENAK-AWEZNQCLSA-N
XLogP2.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The IUPAC name of 7,7-dimethyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (CID 124619988) is 7,7-dimethyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for 7,7-dimethyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for 7,7-dimethyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is C[C@@H](CN1CCCC1=O)NC(=O)N1CC(C)(C)OC2(CCCC2)C1.
What is the InChIKey of 7,7-dimethyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The InChIKey is FRQMODBUXRENAK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-14(11-20-10-6-7-15(20)22)19-16(23)21-12-17(2,3)24-18(13-21)8-4-5-9-18/h14H,4-13H2,1-3H3,(H,19,23)/t14-/m0/s1.
What are the key properties of 7,7-dimethyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
7,7-dimethyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 124619988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).