N-methyl-3-(4-propan-2-ylphenoxy)propanehydrazide

C13H20N2O2 — CID 116820440

IUPACN-methyl-3-(4-propan-2-ylphenoxy)propanehydrazide
SMILESCC(C)c1ccc(OCCC(=O)N(C)N)cc1
InChIInChI=1S/C13H20N2O2/c1-10(2)11-4-6-12(7-5-11)17-9-8-13(16)15(3)14/h4-7,10H,8-9,14H2,1-3H3
InChIKeySCJVSSXVMHQAPS-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.91
Rot. Bonds5

About N-methyl-3-(4-propan-2-ylphenoxy)propanehydrazide

N-methyl-3-(4-propan-2-ylphenoxy)propanehydrazide (PubChem CID 116820440) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-methyl-3-(4-propan-2-ylphenoxy)propanehydrazide.

Molecular Properties

Compound NameN-methyl-3-(4-propan-2-ylphenoxy)propanehydrazide
PubChem CID116820440
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-methyl-3-(4-propan-2-ylphenoxy)propanehydrazide
SMILESCC(C)c1ccc(OCCC(=O)N(C)N)cc1
InChIInChI=1S/C13H20N2O2/c1-10(2)11-4-6-12(7-5-11)17-9-8-13(16)15(3)14/h4-7,10H,8-9,14H2,1-3H3
InChIKeySCJVSSXVMHQAPS-UHFFFAOYSA-N
XLogP1.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide
CID 43291261
N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119582078
2-[methyl-[3-(4-propan-2-ylphenoxy)propanoyl]amino]propanoic acid
CID 119208995
3-(4-propan-2-ylphenoxy)propanoic acid
CID 16777434
N-(1-aminopropan-2-yl)-3-(4-propan-2-ylphenoxy)propanamide
CID 110834337
3-(4-aminophenoxy)-N-methyl-N-(3-methylbutan-2-yl)propanamide
CID 61093094
N,N-dimethyl-3-[4-[1-(methylamino)ethyl]phenoxy]propanamide
CID 54879263
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-(4-propan-2-ylphenoxy)propanamide
CID 56572588
3-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide
CID 78930528
4-(4-propan-2-ylphenoxy)butanethioamide
CID 24692673
3-phenoxy-N'-[2-(4-propan-2-ylphenoxy)acetyl]propanehydrazide
CID 19168024
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide
CID 75869937

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-propan-2-ylphenoxy)propanehydrazide?
The IUPAC name of N-methyl-3-(4-propan-2-ylphenoxy)propanehydrazide (CID 116820440) is N-methyl-3-(4-propan-2-ylphenoxy)propanehydrazide.
What is the SMILES notation for N-methyl-3-(4-propan-2-ylphenoxy)propanehydrazide?
The canonical SMILES for N-methyl-3-(4-propan-2-ylphenoxy)propanehydrazide is CC(C)c1ccc(OCCC(=O)N(C)N)cc1.
What is the InChIKey of N-methyl-3-(4-propan-2-ylphenoxy)propanehydrazide?
The InChIKey is SCJVSSXVMHQAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)11-4-6-12(7-5-11)17-9-8-13(16)15(3)14/h4-7,10H,8-9,14H2,1-3H3.
What are the key properties of N-methyl-3-(4-propan-2-ylphenoxy)propanehydrazide?
N-methyl-3-(4-propan-2-ylphenoxy)propanehydrazide has a molecular weight of 236.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-propan-2-ylphenoxy)propanehydrazide is sourced from PubChem (CID 116820440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).