(2S)-1-(cyclohexanecarbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide

C17H28N2O4 — CID 94630274

IUPAC(2S)-1-(cyclohexanecarbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NC[C@H]1COCCO1)[C@@H]1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C17H28N2O4/c20-16(18-11-14-12-22-9-10-23-14)15-7-4-8-19(15)17(21)13-5-2-1-3-6-13/h13-15H,1-12H2,(H,18,20)/t14-,15-/m0/s1
InChIKeyIAOMLWYUSALZPZ-GJZGRUSLSA-N
MW324.42 g/mol
LogP1.09
Rot. Bonds4

About (2S)-1-(cyclohexanecarbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide

(2S)-1-(cyclohexanecarbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 94630274) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2S)-1-(cyclohexanecarbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(cyclohexanecarbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID94630274
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name(2S)-1-(cyclohexanecarbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NC[C@H]1COCCO1)[C@@H]1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C17H28N2O4/c20-16(18-11-14-12-22-9-10-23-14)15-7-4-8-19(15)17(21)13-5-2-1-3-6-13/h13-15H,1-12H2,(H,18,20)/t14-,15-/m0/s1
InChIKeyIAOMLWYUSALZPZ-GJZGRUSLSA-N
XLogP1.09
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-(cyclohexanecarbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2R)-1-(adamantane-1-carbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 94630193
2-cyclohexyl-N-(1,4-dioxan-2-ylmethyl)pyrrolidine-1-carboxamide
CID 71938909
(2R)-2-(cyclohexylmethyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-1-carboxamide
CID 99787980
1-(4-methylidenecyclohexanecarbonyl)-N-(oxan-4-ylmethyl)pyrrolidine-2-carboxamide
CID 91127022
3-[1-(1,4-dioxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62216383
N-[[(2S)-oxiran-2-yl]methyl]cyclohexanecarboxamide
CID 97180814
1-(cyclopropanecarbonyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
CID 115455332
(2R)-1-(cyclohexanecarbonyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 94167854
(2S)-1-(cyclohexanecarbonyl)-N-[(2S)-oxan-2-yl]oxypyrrolidine-2-carboxamide
CID 95139145
tert-butyl 2-[(1,4-dioxan-2-ylmethylcarbamoylamino)methyl]piperidine-1-carboxylate
CID 71936823
2-amino-N-(1,4-dioxan-2-ylmethyl)-6-methylcyclohexane-1-carboxamide
CID 62783221
(2S)-1-(cyclopropanecarbonyl)-N-(oxolan-3-yloxy)pyrrolidine-2-carboxamide
CID 154865192

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclohexanecarbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(cyclohexanecarbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide (CID 94630274) is (2S)-1-(cyclohexanecarbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(cyclohexanecarbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(cyclohexanecarbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide is O=C(NC[C@H]1COCCO1)[C@@H]1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of (2S)-1-(cyclohexanecarbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is IAOMLWYUSALZPZ-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H28N2O4/c20-16(18-11-14-12-22-9-10-23-14)15-7-4-8-19(15)17(21)13-5-2-1-3-6-13/h13-15H,1-12H2,(H,18,20)/t14-,15-/m0/s1.
What are the key properties of (2S)-1-(cyclohexanecarbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide?
(2S)-1-(cyclohexanecarbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclohexanecarbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 94630274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).