N',N'-dimethyl-4-(4-propan-2-ylphenyl)butanehydrazide

C15H24N2O — CID 116847673

IUPACN',N'-dimethyl-4-(4-propan-2-ylphenyl)butanehydrazide
SMILESCC(C)c1ccc(CCCC(=O)NN(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-12(2)14-10-8-13(9-11-14)6-5-7-15(18)16-17(3)4/h8-12H,5-7H2,1-4H3,(H,16,18)
InChIKeyKKFISXFNTNWCQI-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.73
Rot. Bonds6

About N',N'-dimethyl-4-(4-propan-2-ylphenyl)butanehydrazide

N',N'-dimethyl-4-(4-propan-2-ylphenyl)butanehydrazide (PubChem CID 116847673) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N',N'-dimethyl-4-(4-propan-2-ylphenyl)butanehydrazide.

Molecular Properties

Compound NameN',N'-dimethyl-4-(4-propan-2-ylphenyl)butanehydrazide
PubChem CID116847673
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN',N'-dimethyl-4-(4-propan-2-ylphenyl)butanehydrazide
SMILESCC(C)c1ccc(CCCC(=O)NN(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-12(2)14-10-8-13(9-11-14)6-5-7-15(18)16-17(3)4/h8-12H,5-7H2,1-4H3,(H,16,18)
InChIKeyKKFISXFNTNWCQI-UHFFFAOYSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.73
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

N',N'-dimethyl-4-[4-(2-methylpropyl)phenyl]butanehydrazide
CID 116847692
5-(4-ethylphenyl)-N',N'-dimethylpentanehydrazide
CID 116847774
3-[4-(4-propan-2-ylphenyl)butanoylamino]propanoic acid
CID 82224317
N',N'-dimethyl-5-(4-methylsulfanylphenyl)pentanehydrazide
CID 116847805
2-oxo-5-(4-propan-2-ylphenyl)pentanoic acid
CID 171318112
4-(4-fluoro-3-methylphenyl)-N',N'-dimethylbutanehydrazide
CID 116847682
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-(4-propan-2-ylphenyl)butanamide
CID 157013290
N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 41455606
4-hydroxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 94689915
3-amino-N-[3-(4-propan-2-ylphenyl)propyl]propanamide;hydrochloride
CID 119322586
5-(2,3-dihydro-1H-inden-5-yl)-N',N'-dimethylpentanehydrazide
CID 116847788
2-amino-N-[3-(4-propan-2-ylphenyl)propyl]acetamide;hydrochloride
CID 119322588

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-4-(4-propan-2-ylphenyl)butanehydrazide?
The IUPAC name of N',N'-dimethyl-4-(4-propan-2-ylphenyl)butanehydrazide (CID 116847673) is N',N'-dimethyl-4-(4-propan-2-ylphenyl)butanehydrazide.
What is the SMILES notation for N',N'-dimethyl-4-(4-propan-2-ylphenyl)butanehydrazide?
The canonical SMILES for N',N'-dimethyl-4-(4-propan-2-ylphenyl)butanehydrazide is CC(C)c1ccc(CCCC(=O)NN(C)C)cc1.
What is the InChIKey of N',N'-dimethyl-4-(4-propan-2-ylphenyl)butanehydrazide?
The InChIKey is KKFISXFNTNWCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(2)14-10-8-13(9-11-14)6-5-7-15(18)16-17(3)4/h8-12H,5-7H2,1-4H3,(H,16,18).
What are the key properties of N',N'-dimethyl-4-(4-propan-2-ylphenyl)butanehydrazide?
N',N'-dimethyl-4-(4-propan-2-ylphenyl)butanehydrazide has a molecular weight of 248.37 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-4-(4-propan-2-ylphenyl)butanehydrazide is sourced from PubChem (CID 116847673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).