3-benzyl-N-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide

C20H29N3O4 — CID 19814368

IUPAC3-benzyl-N-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC2(CC1)OC(=O)N(Cc1ccccc1)C2(C)O
InChIInChI=1S/C20H29N3O4/c1-18(2,3)21-16(24)22-12-10-20(11-13-22)19(4,26)23(17(25)27-20)14-15-8-6-5-7-9-15/h5-9,26H,10-14H2,1-4H3,(H,21,24)
InChIKeyCTYBPAQQDTWHES-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.69
Rot. Bonds2

About 3-benzyl-N-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide

3-benzyl-N-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 19814368) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-benzyl-N-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name3-benzyl-N-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID19814368
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name3-benzyl-N-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC2(CC1)OC(=O)N(Cc1ccccc1)C2(C)O
InChIInChI=1S/C20H29N3O4/c1-18(2,3)21-16(24)22-12-10-20(11-13-22)19(4,26)23(17(25)27-20)14-15-8-6-5-7-9-15/h5-9,26H,10-14H2,1-4H3,(H,21,24)
InChIKeyCTYBPAQQDTWHES-UHFFFAOYSA-N
XLogP2.69
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-benzyl-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 67901829
phenyl 3-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
CID 19814376
4-benzyl-N-tert-butyl-3-methylpiperazine-1-carboxamide
CID 70933120
1-benzyl-2-oxo-N-propan-2-yl-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 97493909
8-benzyl-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
CID 19814314
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
8-(3,3-diphenylprop-2-enyl)-4-hydroxy-4-methyl-3-propyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
CID 19887487
(2R)-4-(1-benzylpiperidin-4-yl)-2-[(2S)-butan-2-yl]-N-tert-butyl-3-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxamide
CID 93146113
N-benzyl-4,4-dimethylazepane-1-carboxamide
CID 103713688
N-tert-butyl-4-ethyl-4-methylpiperidine-1-carboxamide
CID 115695093
8-(3,3-diphenylprop-2-enyl)-4-hydroxy-3,4-dimethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 19887476
N-tert-butyl-4-(2-phenylethylsulfonyl)piperazine-1-carboxamide
CID 110811178

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 3-benzyl-N-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide (CID 19814368) is 3-benzyl-N-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 3-benzyl-N-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 3-benzyl-N-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide is CC(C)(C)NC(=O)N1CCC2(CC1)OC(=O)N(Cc1ccccc1)C2(C)O.
What is the InChIKey of 3-benzyl-N-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is CTYBPAQQDTWHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-18(2,3)21-16(24)22-12-10-20(11-13-22)19(4,26)23(17(25)27-20)14-15-8-6-5-7-9-15/h5-9,26H,10-14H2,1-4H3,(H,21,24).
What are the key properties of 3-benzyl-N-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide?
3-benzyl-N-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-tert-butyl-4-hydroxy-4-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 19814368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).