1-(cyclohexanecarbonyl)-N'-[2-(2-ethylphenoxy)acetyl]pyrrolidine-2-carbohydrazide

C22H31N3O4 — CID 55786692

IUPAC1-(cyclohexanecarbonyl)-N'-[2-(2-ethylphenoxy)acetyl]pyrrolidine-2-carbohydrazide
SMILESCCc1ccccc1OCC(=O)NNC(=O)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C22H31N3O4/c1-2-16-9-6-7-13-19(16)29-15-20(26)23-24-21(27)18-12-8-14-25(18)22(28)17-10-4-3-5-11-17/h6-7,9,13,17-18H,2-5,8,10-12,14-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyNRNQRHCVKSYSOP-UHFFFAOYSA-N
MW401.51 g/mol
LogP2.35
Rot. Bonds6

About 1-(cyclohexanecarbonyl)-N'-[2-(2-ethylphenoxy)acetyl]pyrrolidine-2-carbohydrazide

1-(cyclohexanecarbonyl)-N'-[2-(2-ethylphenoxy)acetyl]pyrrolidine-2-carbohydrazide (PubChem CID 55786692) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)-N'-[2-(2-ethylphenoxy)acetyl]pyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)-N'-[2-(2-ethylphenoxy)acetyl]pyrrolidine-2-carbohydrazide
PubChem CID55786692
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC Name1-(cyclohexanecarbonyl)-N'-[2-(2-ethylphenoxy)acetyl]pyrrolidine-2-carbohydrazide
SMILESCCc1ccccc1OCC(=O)NNC(=O)C1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C22H31N3O4/c1-2-16-9-6-7-13-19(16)29-15-20(26)23-24-21(27)18-12-8-14-25(18)22(28)17-10-4-3-5-11-17/h6-7,9,13,17-18H,2-5,8,10-12,14-15H2,1H3,(H,23,26)(H,24,27)
InChIKeyNRNQRHCVKSYSOP-UHFFFAOYSA-N
XLogP2.35
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-ethylphenoxy)acetyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 55669359
N'-[2-(2-tert-butylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 17050921
N'-[2-(2-phenylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 3465565
N'-[2-(4-chlorophenyl)sulfanylacetyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carbohydrazide
CID 55738775
N'-(2-chloroacetyl)-2-(2-ethylphenoxy)acetohydrazide
CID 166414704
N'-[2-(2-methylphenoxy)acetyl]cyclobutanecarbohydrazide
CID 8696588
(2R)-1-(cyclohexanecarbonyl)-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]pyrrolidine-2-carboxamide
CID 95761647
N'-(2-phenoxyacetyl)cyclohexanecarbohydrazide
CID 695727
(2S)-1-(cyclohexanecarbonyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 51951158
(2R)-1-(cyclohexanecarbonyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 94167854
2-(1-adamantyl)-N'-[2-(2-ethylphenoxy)acetyl]acetohydrazide
CID 55334349
(3S)-3-[[[2-(2-fluorophenoxy)acetyl]amino]carbamoyl]-N-phenylpiperidine-1-carboxamide
CID 9085857

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)-N'-[2-(2-ethylphenoxy)acetyl]pyrrolidine-2-carbohydrazide?
The IUPAC name of 1-(cyclohexanecarbonyl)-N'-[2-(2-ethylphenoxy)acetyl]pyrrolidine-2-carbohydrazide (CID 55786692) is 1-(cyclohexanecarbonyl)-N'-[2-(2-ethylphenoxy)acetyl]pyrrolidine-2-carbohydrazide.
What is the SMILES notation for 1-(cyclohexanecarbonyl)-N'-[2-(2-ethylphenoxy)acetyl]pyrrolidine-2-carbohydrazide?
The canonical SMILES for 1-(cyclohexanecarbonyl)-N'-[2-(2-ethylphenoxy)acetyl]pyrrolidine-2-carbohydrazide is CCc1ccccc1OCC(=O)NNC(=O)C1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of 1-(cyclohexanecarbonyl)-N'-[2-(2-ethylphenoxy)acetyl]pyrrolidine-2-carbohydrazide?
The InChIKey is NRNQRHCVKSYSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4/c1-2-16-9-6-7-13-19(16)29-15-20(26)23-24-21(27)18-12-8-14-25(18)22(28)17-10-4-3-5-11-17/h6-7,9,13,17-18H,2-5,8,10-12,14-15H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 1-(cyclohexanecarbonyl)-N'-[2-(2-ethylphenoxy)acetyl]pyrrolidine-2-carbohydrazide?
1-(cyclohexanecarbonyl)-N'-[2-(2-ethylphenoxy)acetyl]pyrrolidine-2-carbohydrazide has a molecular weight of 401.51 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)-N'-[2-(2-ethylphenoxy)acetyl]pyrrolidine-2-carbohydrazide is sourced from PubChem (CID 55786692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).