(2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-cyclohexyl-N-methylacetamide

C17H29N3O2 — CID 75411408

IUPAC(2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-cyclohexyl-N-methylacetamide
SMILESCNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)N1CCC1
InChIInChI=1S/C17H29N3O2/c1-18-16(21)15(13-7-3-2-4-8-13)20-12-5-9-14(20)17(22)19-10-6-11-19/h13-15H,2-12H2,1H3,(H,18,21)/t14-,15+/m0/s1
InChIKeyZJLJGDVXNVWRGM-LSDHHAIUSA-N
MW307.44 g/mol
LogP1.38
Rot. Bonds4

About (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-cyclohexyl-N-methylacetamide

(2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-cyclohexyl-N-methylacetamide (PubChem CID 75411408) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound Name(2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-cyclohexyl-N-methylacetamide
PubChem CID75411408
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name(2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-cyclohexyl-N-methylacetamide
SMILESCNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)N1CCC1
InChIInChI=1S/C17H29N3O2/c1-18-16(21)15(13-7-3-2-4-8-13)20-12-5-9-14(20)17(22)19-10-6-11-19/h13-15H,2-12H2,1H3,(H,18,21)/t14-,15+/m0/s1
InChIKeyZJLJGDVXNVWRGM-LSDHHAIUSA-N
XLogP1.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-cyclohexyl-N-methylacetamide?
The IUPAC name of (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-cyclohexyl-N-methylacetamide (CID 75411408) is (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-cyclohexyl-N-methylacetamide.
What is the SMILES notation for (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-cyclohexyl-N-methylacetamide?
The canonical SMILES for (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-cyclohexyl-N-methylacetamide is CNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)N1CCC1.
What is the InChIKey of (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-cyclohexyl-N-methylacetamide?
The InChIKey is ZJLJGDVXNVWRGM-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-18-16(21)15(13-7-3-2-4-8-13)20-12-5-9-14(20)17(22)19-10-6-11-19/h13-15H,2-12H2,1H3,(H,18,21)/t14-,15+/m0/s1.
What are the key properties of (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-cyclohexyl-N-methylacetamide?
(2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-cyclohexyl-N-methylacetamide has a molecular weight of 307.44 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-2-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 75411408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).