N',N'-dimethyl-4-[4-(2-methylpropyl)phenyl]butanehydrazide

C16H26N2O — CID 116847692

IUPACN',N'-dimethyl-4-[4-(2-methylpropyl)phenyl]butanehydrazide
SMILESCC(C)Cc1ccc(CCCC(=O)NN(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-13(2)12-15-10-8-14(9-11-15)6-5-7-16(19)17-18(3)4/h8-11,13H,5-7,12H2,1-4H3,(H,17,19)
InChIKeyQJUXBMQTFWOXJU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.80
Rot. Bonds7

About N',N'-dimethyl-4-[4-(2-methylpropyl)phenyl]butanehydrazide

N',N'-dimethyl-4-[4-(2-methylpropyl)phenyl]butanehydrazide (PubChem CID 116847692) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N',N'-dimethyl-4-[4-(2-methylpropyl)phenyl]butanehydrazide.

Molecular Properties

Compound NameN',N'-dimethyl-4-[4-(2-methylpropyl)phenyl]butanehydrazide
PubChem CID116847692
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN',N'-dimethyl-4-[4-(2-methylpropyl)phenyl]butanehydrazide
SMILESCC(C)Cc1ccc(CCCC(=O)NN(C)C)cc1
InChIInChI=1S/C16H26N2O/c1-13(2)12-15-10-8-14(9-11-15)6-5-7-16(19)17-18(3)4/h8-11,13H,5-7,12H2,1-4H3,(H,17,19)
InChIKeyQJUXBMQTFWOXJU-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.80
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-propan-2-ylphenyl)butanehydrazide
CID 116847673
5-(4-ethylphenyl)-N',N'-dimethylpentanehydrazide
CID 116847774
4-[4-(2-methylpropyl)phenyl]butanoyl chloride
CID 93185946
N',N'-dimethyl-5-(4-methylsulfanylphenyl)pentanehydrazide
CID 116847805
4-(4-fluoro-3-methylphenyl)-N',N'-dimethylbutanehydrazide
CID 116847682
5-(2,3-dihydro-1H-inden-5-yl)-N',N'-dimethylpentanehydrazide
CID 116847788
N-[2-(2,6-dioxopiperidin-1-yl)ethyl]-4-[4-(2-methylpropyl)phenyl]butanamide
CID 166182165
4-(3H-benzimidazol-5-yl)-N',N'-dimethylbutanehydrazide
CID 116847733
N-methyl-N-[2-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 115191266
N',N'-dimethyl-2-(4-propylphenyl)acetohydrazide
CID 116847421
3-chloro-N-[2-[4-(2-methylpropyl)phenyl]ethyl]propanamide
CID 115162612
3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide
CID 116847579

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-4-[4-(2-methylpropyl)phenyl]butanehydrazide?
The IUPAC name of N',N'-dimethyl-4-[4-(2-methylpropyl)phenyl]butanehydrazide (CID 116847692) is N',N'-dimethyl-4-[4-(2-methylpropyl)phenyl]butanehydrazide.
What is the SMILES notation for N',N'-dimethyl-4-[4-(2-methylpropyl)phenyl]butanehydrazide?
The canonical SMILES for N',N'-dimethyl-4-[4-(2-methylpropyl)phenyl]butanehydrazide is CC(C)Cc1ccc(CCCC(=O)NN(C)C)cc1.
What is the InChIKey of N',N'-dimethyl-4-[4-(2-methylpropyl)phenyl]butanehydrazide?
The InChIKey is QJUXBMQTFWOXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)12-15-10-8-14(9-11-15)6-5-7-16(19)17-18(3)4/h8-11,13H,5-7,12H2,1-4H3,(H,17,19).
What are the key properties of N',N'-dimethyl-4-[4-(2-methylpropyl)phenyl]butanehydrazide?
N',N'-dimethyl-4-[4-(2-methylpropyl)phenyl]butanehydrazide has a molecular weight of 262.40 g/mol, XLogP of 2.80, 7 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-(2-methylpropyl)phenyl]butanehydrazide is sourced from PubChem (CID 116847692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).