1-tert-butyl-N-[(1-hydroxycyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide

C16H28N2O3 — CID 131914241

IUPAC1-tert-butyl-N-[(1-hydroxycyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)NCC2(O)CCCCC2)CC1=O
InChIInChI=1S/C16H28N2O3/c1-15(2,3)18-10-12(9-13(18)19)14(20)17-11-16(21)7-5-4-6-8-16/h12,21H,4-11H2,1-3H3,(H,17,20)
InChIKeyGZGAKCAGINJIOL-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.44
Rot. Bonds3

About 1-tert-butyl-N-[(1-hydroxycyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-tert-butyl-N-[(1-hydroxycyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 131914241) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-tert-butyl-N-[(1-hydroxycyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[(1-hydroxycyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID131914241
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-tert-butyl-N-[(1-hydroxycyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CC(C(=O)NCC2(O)CCCCC2)CC1=O
InChIInChI=1S/C16H28N2O3/c1-15(2,3)18-10-12(9-13(18)19)14(20)17-11-16(21)7-5-4-6-8-16/h12,21H,4-11H2,1-3H3,(H,17,20)
InChIKeyGZGAKCAGINJIOL-UHFFFAOYSA-N
XLogP1.44
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 131913294
1-tert-butyl-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18885871
1-ethyl-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 65119183
1-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 65119011
1-tert-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17081114
(3R)-1-tert-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9352419
N-[(1-hydroxycyclohexyl)methyl]cycloheptanecarboxamide
CID 65114198
(3R)-1-tert-butyl-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 9352536
1-(2,2-dimethylpropanoyl)-N-[(1-hydroxycyclohexyl)methyl]piperidine-4-carboxamide
CID 111445850
1-cycloheptyl-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45195493
1-[[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435852
N-[(1-hydroxycyclobutyl)methyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 111445380

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[(1-hydroxycyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[(1-hydroxycyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 131914241) is 1-tert-butyl-N-[(1-hydroxycyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[(1-hydroxycyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[(1-hydroxycyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide is CC(C)(C)N1CC(C(=O)NCC2(O)CCCCC2)CC1=O.
What is the InChIKey of 1-tert-butyl-N-[(1-hydroxycyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GZGAKCAGINJIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-15(2,3)18-10-12(9-13(18)19)14(20)17-11-16(21)7-5-4-6-8-16/h12,21H,4-11H2,1-3H3,(H,17,20).
What are the key properties of 1-tert-butyl-N-[(1-hydroxycyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-tert-butyl-N-[(1-hydroxycyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[(1-hydroxycyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 131914241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).