2-[3-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-3-oxopropyl]benzamide

C20H28N2O3 — CID 129481116

IUPAC2-[3-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-3-oxopropyl]benzamide
SMILESNC(=O)c1ccccc1CCC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C20H28N2O3/c21-20(25)15-7-2-1-6-14(15)11-12-19(24)22-13-5-9-17(22)16-8-3-4-10-18(16)23/h1-2,6-7,16-18,23H,3-5,8-13H2,(H2,21,25)/t16-,17+,18+/m0/s1
InChIKeySTCHCJKAWGBJOP-RCCFBDPRSA-N
MW344.45 g/mol
LogP2.26
Rot. Bonds5

About 2-[3-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-3-oxopropyl]benzamide

2-[3-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-3-oxopropyl]benzamide (PubChem CID 129481116) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-[3-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-[3-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-3-oxopropyl]benzamide
PubChem CID129481116
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name2-[3-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-3-oxopropyl]benzamide
SMILESNC(=O)c1ccccc1CCC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C20H28N2O3/c21-20(25)15-7-2-1-6-14(15)11-12-19(24)22-13-5-9-17(22)16-8-3-4-10-18(16)23/h1-2,6-7,16-18,23H,3-5,8-13H2,(H2,21,25)/t16-,17+,18+/m0/s1
InChIKeySTCHCJKAWGBJOP-RCCFBDPRSA-N
XLogP2.26
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-3-oxopropyl]benzamide?
The IUPAC name of 2-[3-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-3-oxopropyl]benzamide (CID 129481116) is 2-[3-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-[3-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-3-oxopropyl]benzamide?
The canonical SMILES for 2-[3-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-3-oxopropyl]benzamide is NC(=O)c1ccccc1CCC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O.
What is the InChIKey of 2-[3-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-3-oxopropyl]benzamide?
The InChIKey is STCHCJKAWGBJOP-RCCFBDPRSA-N. The full InChI is InChI=1S/C20H28N2O3/c21-20(25)15-7-2-1-6-14(15)11-12-19(24)22-13-5-9-17(22)16-8-3-4-10-18(16)23/h1-2,6-7,16-18,23H,3-5,8-13H2,(H2,21,25)/t16-,17+,18+/m0/s1.
What are the key properties of 2-[3-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-3-oxopropyl]benzamide?
2-[3-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-3-oxopropyl]benzamide has a molecular weight of 344.45 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-3-oxopropyl]benzamide is sourced from PubChem (CID 129481116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).