(2S)-N-(2-methoxyethyl)-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide

C16H29N3O3 — CID 75411496

IUPAC(2S)-N-(2-methoxyethyl)-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1(N2CCC[C@H]2C(=O)NCCOC)CCCCC1
InChIInChI=1S/C16H29N3O3/c1-17-15(21)16(8-4-3-5-9-16)19-11-6-7-13(19)14(20)18-10-12-22-2/h13H,3-12H2,1-2H3,(H,17,21)(H,18,20)/t13-/m0/s1
InChIKeyWVRNYLZKHWCJKJ-ZDUSSCGKSA-N
MW311.43 g/mol
LogP0.66
Rot. Bonds6

About (2S)-N-(2-methoxyethyl)-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide

(2S)-N-(2-methoxyethyl)-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide (PubChem CID 75411496) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2S)-N-(2-methoxyethyl)-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxyethyl)-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide
PubChem CID75411496
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name(2S)-N-(2-methoxyethyl)-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1(N2CCC[C@H]2C(=O)NCCOC)CCCCC1
InChIInChI=1S/C16H29N3O3/c1-17-15(21)16(8-4-3-5-9-16)19-11-6-7-13(19)14(20)18-10-12-22-2/h13H,3-12H2,1-2H3,(H,17,21)(H,18,20)/t13-/m0/s1
InChIKeyWVRNYLZKHWCJKJ-ZDUSSCGKSA-N
XLogP0.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxyethyl)-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(2-methoxyethyl)-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide (CID 75411496) is (2S)-N-(2-methoxyethyl)-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-methoxyethyl)-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(2-methoxyethyl)-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide is CNC(=O)C1(N2CCC[C@H]2C(=O)NCCOC)CCCCC1.
What is the InChIKey of (2S)-N-(2-methoxyethyl)-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide?
The InChIKey is WVRNYLZKHWCJKJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-17-15(21)16(8-4-3-5-9-16)19-11-6-7-13(19)14(20)18-10-12-22-2/h13H,3-12H2,1-2H3,(H,17,21)(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-N-(2-methoxyethyl)-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide?
(2S)-N-(2-methoxyethyl)-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxyethyl)-1-[1-(methylcarbamoyl)cyclohexyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75411496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).