1-N',4-N'-bis[2-(3,4-dimethylphenoxy)propanoyl]cyclohexane-1,4-dicarbohydrazide

C30H40N4O6 — CID 17169729

IUPAC1-N',4-N'-bis[2-(3,4-dimethylphenoxy)propanoyl]cyclohexane-1,4-dicarbohydrazide
SMILESCc1ccc(OC(C)C(=O)NNC(=O)C2CCC(C(=O)NNC(=O)C(C)Oc3ccc(C)c(C)c3)CC2)cc1C
InChIInChI=1S/C30H40N4O6/c1-17-7-13-25(15-19(17)3)39-21(5)27(35)31-33-29(37)23-9-11-24(12-10-23)30(38)34-32-28(36)22(6)40-26-14-8-18(2)20(4)16-26/h7-8,13-16,21-24H,9-12H2,1-6H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38)
InChIKeyYOLNCFHGDAOWKA-UHFFFAOYSA-N
MW552.67 g/mol
LogP3.26
Rot. Bonds8

About 1-N',4-N'-bis[2-(3,4-dimethylphenoxy)propanoyl]cyclohexane-1,4-dicarbohydrazide

1-N',4-N'-bis[2-(3,4-dimethylphenoxy)propanoyl]cyclohexane-1,4-dicarbohydrazide (PubChem CID 17169729) has the molecular formula C30H40N4O6 and a molecular weight of 552.67 g/mol. Its IUPAC name is 1-N',4-N'-bis[2-(3,4-dimethylphenoxy)propanoyl]cyclohexane-1,4-dicarbohydrazide.

Molecular Properties

Compound Name1-N',4-N'-bis[2-(3,4-dimethylphenoxy)propanoyl]cyclohexane-1,4-dicarbohydrazide
PubChem CID17169729
Molecular FormulaC30H40N4O6
Molecular Weight552.67 g/mol
Exact Mass552.29
IUPAC Name1-N',4-N'-bis[2-(3,4-dimethylphenoxy)propanoyl]cyclohexane-1,4-dicarbohydrazide
SMILESCc1ccc(OC(C)C(=O)NNC(=O)C2CCC(C(=O)NNC(=O)C(C)Oc3ccc(C)c(C)c3)CC2)cc1C
InChIInChI=1S/C30H40N4O6/c1-17-7-13-25(15-19(17)3)39-21(5)27(35)31-33-29(37)23-9-11-24(12-10-23)30(38)34-32-28(36)22(6)40-26-14-8-18(2)20(4)16-26/h7-8,13-16,21-24H,9-12H2,1-6H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38)
InChIKeyYOLNCFHGDAOWKA-UHFFFAOYSA-N
XLogP3.26
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.67
LogP ≤ 53.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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
N-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioyl]cyclopropanecarboxamide
CID 17169509
N'-[2-(4-methylphenoxy)propanoyl]cyclopropanecarbohydrazide
CID 51165989
N'-(2-naphthalen-2-yloxypropanoyl)cyclopropanecarbohydrazide
CID 4940181
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 17169390
N'-[2-(3,4-dimethylphenoxy)propanoyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 17169425
N'-[2-(2,5-dimethylphenoxy)propanoyl]cyclohexanecarbohydrazide
CID 4945045
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide
CID 9343434
N'-[(2R)-2-(4-ethoxyphenoxy)propanoyl]cyclobutanecarbohydrazide
CID 9343438
3,5-dichloro-N'-[2-(3,4-dimethylphenoxy)propanoyl]benzohydrazide
CID 17169474
N'-[2-(2,4-ditert-butylphenoxy)acetyl]-2-(3,4-dimethylphenoxy)propanehydrazide
CID 17169454
N-[2-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]ethyl]cyclohexanecarboxamide
CID 55805598

Frequently Asked Questions

What is the IUPAC name of 1-N',4-N'-bis[2-(3,4-dimethylphenoxy)propanoyl]cyclohexane-1,4-dicarbohydrazide?
The IUPAC name of 1-N',4-N'-bis[2-(3,4-dimethylphenoxy)propanoyl]cyclohexane-1,4-dicarbohydrazide (CID 17169729) is 1-N',4-N'-bis[2-(3,4-dimethylphenoxy)propanoyl]cyclohexane-1,4-dicarbohydrazide.
What is the SMILES notation for 1-N',4-N'-bis[2-(3,4-dimethylphenoxy)propanoyl]cyclohexane-1,4-dicarbohydrazide?
The canonical SMILES for 1-N',4-N'-bis[2-(3,4-dimethylphenoxy)propanoyl]cyclohexane-1,4-dicarbohydrazide is Cc1ccc(OC(C)C(=O)NNC(=O)C2CCC(C(=O)NNC(=O)C(C)Oc3ccc(C)c(C)c3)CC2)cc1C.
What is the InChIKey of 1-N',4-N'-bis[2-(3,4-dimethylphenoxy)propanoyl]cyclohexane-1,4-dicarbohydrazide?
The InChIKey is YOLNCFHGDAOWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O6/c1-17-7-13-25(15-19(17)3)39-21(5)27(35)31-33-29(37)23-9-11-24(12-10-23)30(38)34-32-28(36)22(6)40-26-14-8-18(2)20(4)16-26/h7-8,13-16,21-24H,9-12H2,1-6H3,(H,31,35)(H,32,36)(H,33,37)(H,34,38).
What are the key properties of 1-N',4-N'-bis[2-(3,4-dimethylphenoxy)propanoyl]cyclohexane-1,4-dicarbohydrazide?
1-N',4-N'-bis[2-(3,4-dimethylphenoxy)propanoyl]cyclohexane-1,4-dicarbohydrazide has a molecular weight of 552.67 g/mol, XLogP of 3.26, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',4-N'-bis[2-(3,4-dimethylphenoxy)propanoyl]cyclohexane-1,4-dicarbohydrazide is sourced from PubChem (CID 17169729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).