(3S)-N'-(cyclohexanecarbonyl)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carbohydrazide

C20H33N3O3 — CID 25388927

IUPAC(3S)-N'-(cyclohexanecarbonyl)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carbohydrazide
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1N1C[C@@H](C(=O)NNC(=O)C2CCCCC2)CC1=O
InChIInChI=1S/C20H33N3O3/c1-13-7-6-10-17(14(13)2)23-12-16(11-18(23)24)20(26)22-21-19(25)15-8-4-3-5-9-15/h13-17H,3-12H2,1-2H3,(H,21,25)(H,22,26)/t13-,14-,16+,17+/m1/s1
InChIKeyLBDSDISCHJNTGW-JHNDHUHGSA-N
MW363.50 g/mol
LogP2.39
Rot. Bonds3

About (3S)-N'-(cyclohexanecarbonyl)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carbohydrazide

(3S)-N'-(cyclohexanecarbonyl)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carbohydrazide (PubChem CID 25388927) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is (3S)-N'-(cyclohexanecarbonyl)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carbohydrazide.

Molecular Properties

Compound Name(3S)-N'-(cyclohexanecarbonyl)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carbohydrazide
PubChem CID25388927
Molecular FormulaC20H33N3O3
Molecular Weight363.50 g/mol
Exact Mass363.25
IUPAC Name(3S)-N'-(cyclohexanecarbonyl)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carbohydrazide
SMILESC[C@@H]1[C@H](C)CCC[C@@H]1N1C[C@@H](C(=O)NNC(=O)C2CCCCC2)CC1=O
InChIInChI=1S/C20H33N3O3/c1-13-7-6-10-17(14(13)2)23-12-16(11-18(23)24)20(26)22-21-19(25)15-8-4-3-5-9-15/h13-17H,3-12H2,1-2H3,(H,21,25)(H,22,26)/t13-,14-,16+,17+/m1/s1
InChIKeyLBDSDISCHJNTGW-JHNDHUHGSA-N
XLogP2.39
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-N'-(cyclohexanecarbonyl)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carbohydrazide?
The IUPAC name of (3S)-N'-(cyclohexanecarbonyl)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carbohydrazide (CID 25388927) is (3S)-N'-(cyclohexanecarbonyl)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carbohydrazide.
What is the SMILES notation for (3S)-N'-(cyclohexanecarbonyl)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carbohydrazide?
The canonical SMILES for (3S)-N'-(cyclohexanecarbonyl)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carbohydrazide is C[C@@H]1[C@H](C)CCC[C@@H]1N1C[C@@H](C(=O)NNC(=O)C2CCCCC2)CC1=O.
What is the InChIKey of (3S)-N'-(cyclohexanecarbonyl)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carbohydrazide?
The InChIKey is LBDSDISCHJNTGW-JHNDHUHGSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-13-7-6-10-17(14(13)2)23-12-16(11-18(23)24)20(26)22-21-19(25)15-8-4-3-5-9-15/h13-17H,3-12H2,1-2H3,(H,21,25)(H,22,26)/t13-,14-,16+,17+/m1/s1.
What are the key properties of (3S)-N'-(cyclohexanecarbonyl)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carbohydrazide?
(3S)-N'-(cyclohexanecarbonyl)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carbohydrazide has a molecular weight of 363.50 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N'-(cyclohexanecarbonyl)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carbohydrazide is sourced from PubChem (CID 25388927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).