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

C18H31N3O3 — CID 75411528

IUPAC(2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1(N2CCC[C@H]2C(=O)NC2CCCCC2)CCOCC1
InChIInChI=1S/C18H31N3O3/c1-19-17(23)18(9-12-24-13-10-18)21-11-5-8-15(21)16(22)20-14-6-3-2-4-7-14/h14-15H,2-13H2,1H3,(H,19,23)(H,20,22)/t15-/m0/s1
InChIKeyYFFBJEGVMNMRLY-HNNXBMFYSA-N
MW337.46 g/mol
LogP1.19
Rot. Bonds4

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

(2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide (PubChem CID 75411528) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide
PubChem CID75411528
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name(2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1(N2CCC[C@H]2C(=O)NC2CCCCC2)CCOCC1
InChIInChI=1S/C18H31N3O3/c1-19-17(23)18(9-12-24-13-10-18)21-11-5-8-15(21)16(22)20-14-6-3-2-4-7-14/h14-15H,2-13H2,1H3,(H,19,23)(H,20,22)/t15-/m0/s1
InChIKeyYFFBJEGVMNMRLY-HNNXBMFYSA-N
XLogP1.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide (CID 75411528) is (2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide is CNC(=O)C1(N2CCC[C@H]2C(=O)NC2CCCCC2)CCOCC1.
What is the InChIKey of (2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is YFFBJEGVMNMRLY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-19-17(23)18(9-12-24-13-10-18)21-11-5-8-15(21)16(22)20-14-6-3-2-4-7-14/h14-15H,2-13H2,1H3,(H,19,23)(H,20,22)/t15-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide?
(2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75411528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).