N'-[2-(2,5-dimethylphenoxy)propanoyl]cyclohexanecarbohydrazide

C18H26N2O3 — CID 4945045

IUPACN'-[2-(2,5-dimethylphenoxy)propanoyl]cyclohexanecarbohydrazide
SMILESCc1ccc(C)c(OC(C)C(=O)NNC(=O)C2CCCCC2)c1
InChIInChI=1S/C18H26N2O3/c1-12-9-10-13(2)16(11-12)23-14(3)17(21)19-20-18(22)15-7-5-4-6-8-15/h9-11,14-15H,4-8H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyDWQJOYJMBXADGO-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.80
Rot. Bonds4

About N'-[2-(2,5-dimethylphenoxy)propanoyl]cyclohexanecarbohydrazide

N'-[2-(2,5-dimethylphenoxy)propanoyl]cyclohexanecarbohydrazide (PubChem CID 4945045) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N'-[2-(2,5-dimethylphenoxy)propanoyl]cyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,5-dimethylphenoxy)propanoyl]cyclohexanecarbohydrazide
PubChem CID4945045
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN'-[2-(2,5-dimethylphenoxy)propanoyl]cyclohexanecarbohydrazide
SMILESCc1ccc(C)c(OC(C)C(=O)NNC(=O)C2CCCCC2)c1
InChIInChI=1S/C18H26N2O3/c1-12-9-10-13(2)16(11-12)23-14(3)17(21)19-20-18(22)15-7-5-4-6-8-15/h9-11,14-15H,4-8H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyDWQJOYJMBXADGO-UHFFFAOYSA-N
XLogP2.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.80
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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Related Compounds

N'-[2-(3,4-dimethylphenoxy)propanoyl]cyclopropanecarbohydrazide
CID 17169360
1-N',4-N'-bis[2-(3,4-dimethylphenoxy)propanoyl]cyclohexane-1,4-dicarbohydrazide
CID 17169729
N'-[2-(4-methylphenoxy)propanoyl]cyclopropanecarbohydrazide
CID 51165989
N'-[2-(2-fluorophenoxy)propanoyl]cyclobutanecarbohydrazide
CID 18158775
(2S)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 95706385
2-(2,5-dimethylphenoxy)-N-[4-[2-(2,5-dimethylphenoxy)propanoylamino]phenyl]propanamide
CID 4945097
(2R)-2-(2,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100504761
2-(2,5-dimethylphenoxy)-N-[6-[2-(2,5-dimethylphenoxy)propanoylamino]hexyl]propanamide
CID 4945104
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[2-(2,5-dimethylphenoxy)propanoylamino]benzamide
CID 121062532
2-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxy-4-methylbenzoic acid
CID 60651700
4-[2-[2-(2,5-dimethylphenoxy)propanoyl]hydrazinyl]-N-(2,5-dimethylphenyl)-4-oxobutanamide
CID 4945001
N'-[2-(2-chlorophenoxy)acetyl]-2-(2,5-dimethylphenoxy)propanehydrazide
CID 4945053

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dimethylphenoxy)propanoyl]cyclohexanecarbohydrazide?
The IUPAC name of N'-[2-(2,5-dimethylphenoxy)propanoyl]cyclohexanecarbohydrazide (CID 4945045) is N'-[2-(2,5-dimethylphenoxy)propanoyl]cyclohexanecarbohydrazide.
What is the SMILES notation for N'-[2-(2,5-dimethylphenoxy)propanoyl]cyclohexanecarbohydrazide?
The canonical SMILES for N'-[2-(2,5-dimethylphenoxy)propanoyl]cyclohexanecarbohydrazide is Cc1ccc(C)c(OC(C)C(=O)NNC(=O)C2CCCCC2)c1.
What is the InChIKey of N'-[2-(2,5-dimethylphenoxy)propanoyl]cyclohexanecarbohydrazide?
The InChIKey is DWQJOYJMBXADGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-12-9-10-13(2)16(11-12)23-14(3)17(21)19-20-18(22)15-7-5-4-6-8-15/h9-11,14-15H,4-8H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N'-[2-(2,5-dimethylphenoxy)propanoyl]cyclohexanecarbohydrazide?
N'-[2-(2,5-dimethylphenoxy)propanoyl]cyclohexanecarbohydrazide has a molecular weight of 318.42 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dimethylphenoxy)propanoyl]cyclohexanecarbohydrazide is sourced from PubChem (CID 4945045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).