(2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide

C17H29N3O4 — CID 75411537

IUPAC(2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESCNC(=O)C1(N2CCC[C@H]2C(=O)NC2CCOCC2)CCOCC1
InChIInChI=1S/C17H29N3O4/c1-18-16(22)17(6-11-24-12-7-17)20-8-2-3-14(20)15(21)19-13-4-9-23-10-5-13/h13-14H,2-12H2,1H3,(H,18,22)(H,19,21)/t14-/m0/s1
InChIKeyNELUAQRXEOQIRN-AWEZNQCLSA-N
MW339.44 g/mol
LogP0.04
Rot. Bonds4

About (2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide

(2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide (PubChem CID 75411537) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is (2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide
PubChem CID75411537
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC Name(2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESCNC(=O)C1(N2CCC[C@H]2C(=O)NC2CCOCC2)CCOCC1
InChIInChI=1S/C17H29N3O4/c1-18-16(22)17(6-11-24-12-7-17)20-8-2-3-14(20)15(21)19-13-4-9-23-10-5-13/h13-14H,2-12H2,1H3,(H,18,22)(H,19,21)/t14-/m0/s1
InChIKeyNELUAQRXEOQIRN-AWEZNQCLSA-N
XLogP0.04
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide (CID 75411537) is (2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide is CNC(=O)C1(N2CCC[C@H]2C(=O)NC2CCOCC2)CCOCC1.
What is the InChIKey of (2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is NELUAQRXEOQIRN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H29N3O4/c1-18-16(22)17(6-11-24-12-7-17)20-8-2-3-14(20)15(21)19-13-4-9-23-10-5-13/h13-14H,2-12H2,1H3,(H,18,22)(H,19,21)/t14-/m0/s1.
What are the key properties of (2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide?
(2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(methylcarbamoyl)oxan-4-yl]-N-(oxan-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 75411537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).