(2S)-1-(cyclohexanecarbonyl)-N-[(2S)-oxan-2-yl]oxypyrrolidine-2-carboxamide

C17H28N2O4 — CID 95139145

IUPAC(2S)-1-(cyclohexanecarbonyl)-N-[(2S)-oxan-2-yl]oxypyrrolidine-2-carboxamide
SMILESO=C(NO[C@H]1CCCCO1)[C@@H]1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C17H28N2O4/c20-16(18-23-15-10-4-5-12-22-15)14-9-6-11-19(14)17(21)13-7-2-1-3-8-13/h13-15H,1-12H2,(H,18,20)/t14-,15-/m0/s1
InChIKeyWLLPAAYBYIWUPA-GJZGRUSLSA-N
MW324.42 g/mol
LogP2.13
Rot. Bonds4

About (2S)-1-(cyclohexanecarbonyl)-N-[(2S)-oxan-2-yl]oxypyrrolidine-2-carboxamide

(2S)-1-(cyclohexanecarbonyl)-N-[(2S)-oxan-2-yl]oxypyrrolidine-2-carboxamide (PubChem CID 95139145) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2S)-1-(cyclohexanecarbonyl)-N-[(2S)-oxan-2-yl]oxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(cyclohexanecarbonyl)-N-[(2S)-oxan-2-yl]oxypyrrolidine-2-carboxamide
PubChem CID95139145
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name(2S)-1-(cyclohexanecarbonyl)-N-[(2S)-oxan-2-yl]oxypyrrolidine-2-carboxamide
SMILESO=C(NO[C@H]1CCCCO1)[C@@H]1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C17H28N2O4/c20-16(18-23-15-10-4-5-12-22-15)14-9-6-11-19(14)17(21)13-7-2-1-3-8-13/h13-15H,1-12H2,(H,18,20)/t14-,15-/m0/s1
InChIKeyWLLPAAYBYIWUPA-GJZGRUSLSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(oxan-2-yloxy)cyclopropanecarboxamide
CID 130685295
(3R)-3-N-[(2S)-oxan-2-yl]oxy-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 94824519
(2S)-1-(cyclopropanecarbonyl)-N-(oxolan-3-yloxy)pyrrolidine-2-carboxamide
CID 154865192
(2S)-2-methyl-N-[(2S)-oxan-2-yl]oxypiperidine-1-carboxamide
CID 99718680
(3R)-1-(4-methylbenzoyl)-N-[(2S)-oxan-2-yl]oxypiperidine-3-carboxamide
CID 52828959
(2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110285757
(2S)-1-(cyclohexanecarbonyl)-N-[[(2S)-1,4-dioxan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 94630274
tert-butyl (4S)-4-(oxan-2-yloxycarbamoyl)-1,3-thiazolidine-3-carboxylate
CID 56800960
1-(cyclohexanecarbonyl)azepane-2-carboxylic acid
CID 64559163
(2R)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxylic acid
CID 28820041
1-(cycloheptanecarbonyl)azepane-2-carboxylic acid
CID 64560695
1-(cyclohexanecarbonyl)azocane-2-carboxylic acid
CID 114239738

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclohexanecarbonyl)-N-[(2S)-oxan-2-yl]oxypyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(cyclohexanecarbonyl)-N-[(2S)-oxan-2-yl]oxypyrrolidine-2-carboxamide (CID 95139145) is (2S)-1-(cyclohexanecarbonyl)-N-[(2S)-oxan-2-yl]oxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(cyclohexanecarbonyl)-N-[(2S)-oxan-2-yl]oxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(cyclohexanecarbonyl)-N-[(2S)-oxan-2-yl]oxypyrrolidine-2-carboxamide is O=C(NO[C@H]1CCCCO1)[C@@H]1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of (2S)-1-(cyclohexanecarbonyl)-N-[(2S)-oxan-2-yl]oxypyrrolidine-2-carboxamide?
The InChIKey is WLLPAAYBYIWUPA-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H28N2O4/c20-16(18-23-15-10-4-5-12-22-15)14-9-6-11-19(14)17(21)13-7-2-1-3-8-13/h13-15H,1-12H2,(H,18,20)/t14-,15-/m0/s1.
What are the key properties of (2S)-1-(cyclohexanecarbonyl)-N-[(2S)-oxan-2-yl]oxypyrrolidine-2-carboxamide?
(2S)-1-(cyclohexanecarbonyl)-N-[(2S)-oxan-2-yl]oxypyrrolidine-2-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 2.13, 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)-oxan-2-yl]oxypyrrolidine-2-carboxamide is sourced from PubChem (CID 95139145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).