4-(2,5-dimethylphenyl)-N',N'-dimethylbutanehydrazide

C14H22N2O — CID 116847676

IUPAC4-(2,5-dimethylphenyl)-N',N'-dimethylbutanehydrazide
SMILESCc1ccc(C)c(CCCC(=O)NN(C)C)c1
InChIInChI=1S/C14H22N2O/c1-11-8-9-12(2)13(10-11)6-5-7-14(17)15-16(3)4/h8-10H,5-7H2,1-4H3,(H,15,17)
InChIKeyYURBTRBRWVJUPD-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.22
Rot. Bonds5

About 4-(2,5-dimethylphenyl)-N',N'-dimethylbutanehydrazide

4-(2,5-dimethylphenyl)-N',N'-dimethylbutanehydrazide (PubChem CID 116847676) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-N',N'-dimethylbutanehydrazide.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-N',N'-dimethylbutanehydrazide
PubChem CID116847676
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-(2,5-dimethylphenyl)-N',N'-dimethylbutanehydrazide
SMILESCc1ccc(C)c(CCCC(=O)NN(C)C)c1
InChIInChI=1S/C14H22N2O/c1-11-8-9-12(2)13(10-11)6-5-7-14(17)15-16(3)4/h8-10H,5-7H2,1-4H3,(H,15,17)
InChIKeyYURBTRBRWVJUPD-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,5-dimethylphenyl)methoxy]-N',N'-dimethylacetohydrazide
CID 116847844
6-(2,5-dimethylphenyl)hexan-3-one
CID 64522526
cesium 4-(2,5-dimethylphenyl)butanoate
CID 140689556
2-[4-(2,5-dimethylphenyl)butanoyl-methylamino]acetic acid
CID 98017340
N',N'-dimethyl-5-(2,4,6-trimethylphenyl)pentanehydrazide
CID 116847795
N-[2-(2,5-dimethylphenyl)ethyl]-4-(methylamino)butanamide
CID 115155771
4-(4-fluoro-3-methylphenyl)-N',N'-dimethylbutanehydrazide
CID 116847682
N',N'-dimethyl-3-(6-methylnaphthalen-2-yl)propanehydrazide
CID 116847656
N',N'-dimethyl-3-(2,3,5,6-tetramethylphenyl)propanehydrazide
CID 116847580
3-[2-(2,5-dimethylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163499
2-[2-(2,5-dimethylphenyl)ethyl-methylamino]-2-methylpropanoic acid
CID 115128131
5-(2-bromophenyl)-N',N'-dimethylpentanehydrazide
CID 116847827

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-N',N'-dimethylbutanehydrazide?
The IUPAC name of 4-(2,5-dimethylphenyl)-N',N'-dimethylbutanehydrazide (CID 116847676) is 4-(2,5-dimethylphenyl)-N',N'-dimethylbutanehydrazide.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-N',N'-dimethylbutanehydrazide?
The canonical SMILES for 4-(2,5-dimethylphenyl)-N',N'-dimethylbutanehydrazide is Cc1ccc(C)c(CCCC(=O)NN(C)C)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-N',N'-dimethylbutanehydrazide?
The InChIKey is YURBTRBRWVJUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-8-9-12(2)13(10-11)6-5-7-14(17)15-16(3)4/h8-10H,5-7H2,1-4H3,(H,15,17).
What are the key properties of 4-(2,5-dimethylphenyl)-N',N'-dimethylbutanehydrazide?
4-(2,5-dimethylphenyl)-N',N'-dimethylbutanehydrazide has a molecular weight of 234.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-N',N'-dimethylbutanehydrazide is sourced from PubChem (CID 116847676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).