1-(cyclohexanecarbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide

C16H28N2O3 — CID 154168797

IUPAC1-(cyclohexanecarbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
SMILESCC(C)(C)OC1CC(C(N)=O)N(C(=O)C2CCCCC2)C1
InChIInChI=1S/C16H28N2O3/c1-16(2,3)21-12-9-13(14(17)19)18(10-12)15(20)11-7-5-4-6-8-11/h11-13H,4-10H2,1-3H3,(H2,17,19)
InChIKeySUVGLYYTUGLOCF-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.84
Rot. Bonds3

About 1-(cyclohexanecarbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide

1-(cyclohexanecarbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide (PubChem CID 154168797) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
PubChem CID154168797
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-(cyclohexanecarbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
SMILESCC(C)(C)OC1CC(C(N)=O)N(C(=O)C2CCCCC2)C1
InChIInChI=1S/C16H28N2O3/c1-16(2,3)21-12-9-13(14(17)19)18(10-12)15(20)11-7-5-4-6-8-11/h11-13H,4-10H2,1-3H3,(H2,17,19)
InChIKeySUVGLYYTUGLOCF-UHFFFAOYSA-N
XLogP1.84
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Proline scaffold, 11
CID 42618109
Proline scaffold, 31
CID 42618128
(2S)-N-(2-methoxyethyl)-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide
CID 75411496
(2S,4S)-1-(4,4-difluorocyclohexanecarbonyl)-4-methoxypyrrolidine-2-carboxamide
CID 128983815
methyl (2S,4R)-4-(4-acetyloxy-2-methylbutan-2-yl)oxy-1-[(2S)-2-amino-2-cyclohexylacetyl]pyrrolidine-2-carboxylate
CID 11762134
1-(4-cyclohexylbutanoyl)-N-methyl-N-[2-[2-(methylamino)ethoxy]ethyl]pyrrolidine-2-carboxamide
CID 23503535
(2S,4R)-N-[1-[[2-[(1-amino-1-oxohexan-2-yl)amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-[2-cyclohexyl-2-[(2-cyclohexylacetyl)amino]acetyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
CID 58605079
(2S,4R)-N-[1-[[2-[(1-amino-1-oxohexan-2-yl)amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-[2-cyclohexyl-2-(3,3-dimethylbutanoylamino)acetyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
CID 58605423
2-methylpropyl N-[(1S)-2-[(2S,4R)-2-[(1-amino-1,2-dioxohexan-3-yl)carbamoyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]carbamate
CID 58605906
(2S,4R)-N-[1-[[2-[(1-amino-1-oxohexan-2-yl)amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-[2-cyclohexyl-2-(2-propylpentanoylamino)acetyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
CID 58606243
(2S,4R)-N-[1-[[2-[(1-amino-1-oxohexan-2-yl)amino]-2-oxoethyl]amino]-1,2-dioxohexan-3-yl]-1-[2-cyclohexyl-2-[(2-cyclopentylacetyl)amino]acetyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
CID 58606374
(2R,4R)-N-(cyclohexylmethyl)-4-hydroxy-1-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 60053460

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(cyclohexanecarbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide (CID 154168797) is 1-(cyclohexanecarbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(cyclohexanecarbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(cyclohexanecarbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide is CC(C)(C)OC1CC(C(N)=O)N(C(=O)C2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexanecarbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide?
The InChIKey is SUVGLYYTUGLOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-16(2,3)21-12-9-13(14(17)19)18(10-12)15(20)11-7-5-4-6-8-11/h11-13H,4-10H2,1-3H3,(H2,17,19).
What are the key properties of 1-(cyclohexanecarbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide?
1-(cyclohexanecarbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide is sourced from PubChem (CID 154168797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).