N-[2-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide

C21H31N3O5 — CID 24553492

IUPACN-[2-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
SMILESCCCCOc1ccc(C(=O)NNC(=O)CNC(=O)C2CCCCC2)cc1OC
InChIInChI=1S/C21H31N3O5/c1-3-4-12-29-17-11-10-16(13-18(17)28-2)21(27)24-23-19(25)14-22-20(26)15-8-6-5-7-9-15/h10-11,13,15H,3-9,12,14H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyWTHRMOYMEKJJDN-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.33
Rot. Bonds9

About N-[2-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 24553492) has the molecular formula C21H31N3O5 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[2-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID24553492
Molecular FormulaC21H31N3O5
Molecular Weight405.50 g/mol
Exact Mass405.23
IUPAC NameN-[2-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
SMILESCCCCOc1ccc(C(=O)NNC(=O)CNC(=O)C2CCCCC2)cc1OC
InChIInChI=1S/C21H31N3O5/c1-3-4-12-29-17-11-10-16(13-18(17)28-2)21(27)24-23-19(25)14-22-20(26)15-8-6-5-7-9-15/h10-11,13,15H,3-9,12,14H2,1-2H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyWTHRMOYMEKJJDN-UHFFFAOYSA-N
XLogP2.33
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[2-(cyclopropanecarbonylamino)ethyl]-3-methoxybenzamide
CID 51153166
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-butoxy-3-methoxybenzoate
CID 55306524
4-butoxy-3-methoxy-N'-[(1S,3R)-3-(trifluoromethyl)cyclohexanecarbonyl]benzohydrazide
CID 51959294
4-butoxy-N'-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]-3-methoxybenzohydrazide
CID 86957152
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
N-[2-[2-(4-methylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925419
N'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N'-(cyclohexanecarbonyl)-3,4-diethoxybenzohydrazide
CID 912683
N-[2-[2-(4-tert-butylbenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925439
1-(4-butoxy-3-methoxybenzoyl)-N-propylpiperidine-3-carboxamide
CID 49403077
4-butoxy-N'-[2-[(3R)-1,1-dioxothiolan-3-yl]acetyl]-3-methoxybenzohydrazide
CID 8938936
4-butoxy-3-methoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 9404491

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide (CID 24553492) is N-[2-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide is CCCCOc1ccc(C(=O)NNC(=O)CNC(=O)C2CCCCC2)cc1OC.
What is the InChIKey of N-[2-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is WTHRMOYMEKJJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O5/c1-3-4-12-29-17-11-10-16(13-18(17)28-2)21(27)24-23-19(25)14-22-20(26)15-8-6-5-7-9-15/h10-11,13,15H,3-9,12,14H2,1-2H3,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of N-[2-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.33, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-butoxy-3-methoxybenzoyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 24553492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).