4-(5-ethyl-2-methoxyphenyl)-N-methylbutanehydrazide

C14H22N2O2 — CID 116845108

IUPAC4-(5-ethyl-2-methoxyphenyl)-N-methylbutanehydrazide
SMILESCCc1ccc(OC)c(CCCC(=O)N(C)N)c1
InChIInChI=1S/C14H22N2O2/c1-4-11-8-9-13(18-3)12(10-11)6-5-7-14(17)16(2)15/h8-10H,4-7,15H2,1-3H3
InChIKeyFSXHHBIHPGHFBY-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.91
Rot. Bonds6

About 4-(5-ethyl-2-methoxyphenyl)-N-methylbutanehydrazide

4-(5-ethyl-2-methoxyphenyl)-N-methylbutanehydrazide (PubChem CID 116845108) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(5-ethyl-2-methoxyphenyl)-N-methylbutanehydrazide.

Molecular Properties

Compound Name4-(5-ethyl-2-methoxyphenyl)-N-methylbutanehydrazide
PubChem CID116845108
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-(5-ethyl-2-methoxyphenyl)-N-methylbutanehydrazide
SMILESCCc1ccc(OC)c(CCCC(=O)N(C)N)c1
InChIInChI=1S/C14H22N2O2/c1-4-11-8-9-13(18-3)12(10-11)6-5-7-14(17)16(2)15/h8-10H,4-7,15H2,1-3H3
InChIKeyFSXHHBIHPGHFBY-UHFFFAOYSA-N
XLogP1.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
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

4-(2,5-dimethoxyphenyl)-N-methylbutanehydrazide
CID 116845076
4-amino-N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methylbutanamide
CID 115155352
3-amino-N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 94694459
3-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594
3-(5-ethyl-2-methoxyphenyl)propan-1-ol
CID 94680036
2-amino-5-(5-ethyl-2-methoxyphenyl)pentanoic acid
CID 115005494
5-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236595
2-[2-(5-ethyl-2-methoxyphenyl)ethyl-methylamino]acetic acid
CID 115005474
ethyl 3-(3-ethyl-4-methoxyphenyl)propanoate
CID 58566699
1-(3,5-dimethoxyphenyl)-3-(5-ethyl-2-methoxyphenyl)propan-1-one
CID 70019238
4-[2-(5-ethyl-2-methoxyphenyl)ethylamino]butan-2-one
CID 115235918
N-[(5-ethyl-2-methoxyphenyl)methyl]-N-methyl-3-(methylamino)propanamide
CID 115153278

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-2-methoxyphenyl)-N-methylbutanehydrazide?
The IUPAC name of 4-(5-ethyl-2-methoxyphenyl)-N-methylbutanehydrazide (CID 116845108) is 4-(5-ethyl-2-methoxyphenyl)-N-methylbutanehydrazide.
What is the SMILES notation for 4-(5-ethyl-2-methoxyphenyl)-N-methylbutanehydrazide?
The canonical SMILES for 4-(5-ethyl-2-methoxyphenyl)-N-methylbutanehydrazide is CCc1ccc(OC)c(CCCC(=O)N(C)N)c1.
What is the InChIKey of 4-(5-ethyl-2-methoxyphenyl)-N-methylbutanehydrazide?
The InChIKey is FSXHHBIHPGHFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-11-8-9-13(18-3)12(10-11)6-5-7-14(17)16(2)15/h8-10H,4-7,15H2,1-3H3.
What are the key properties of 4-(5-ethyl-2-methoxyphenyl)-N-methylbutanehydrazide?
4-(5-ethyl-2-methoxyphenyl)-N-methylbutanehydrazide has a molecular weight of 250.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-2-methoxyphenyl)-N-methylbutanehydrazide is sourced from PubChem (CID 116845108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).