2-amino-3-(4-ethylphenyl)-N-methylpropanehydrazide

C12H19N3O — CID 116849043

IUPAC2-amino-3-(4-ethylphenyl)-N-methylpropanehydrazide
SMILESCCc1ccc(CC(N)C(=O)N(C)N)cc1
InChIInChI=1S/C12H19N3O/c1-3-9-4-6-10(7-5-9)8-11(13)12(16)15(2)14/h4-7,11H,3,8,13-14H2,1-2H3
InChIKeyACBRSPBMDNJYDM-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.45
Rot. Bonds4

About 2-amino-3-(4-ethylphenyl)-N-methylpropanehydrazide

2-amino-3-(4-ethylphenyl)-N-methylpropanehydrazide (PubChem CID 116849043) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-3-(4-ethylphenyl)-N-methylpropanehydrazide.

Molecular Properties

Compound Name2-amino-3-(4-ethylphenyl)-N-methylpropanehydrazide
PubChem CID116849043
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-amino-3-(4-ethylphenyl)-N-methylpropanehydrazide
SMILESCCc1ccc(CC(N)C(=O)N(C)N)cc1
InChIInChI=1S/C12H19N3O/c1-3-9-4-6-10(7-5-9)8-11(13)12(16)15(2)14/h4-7,11H,3,8,13-14H2,1-2H3
InChIKeyACBRSPBMDNJYDM-UHFFFAOYSA-N
XLogP0.45
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
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

(2S)-2-amino-3-(4-ethylphenyl)propanoic acid
CID 13406785
(2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119266895
2-amino-N-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide
CID 116849123
2-amino-3-(3-bromo-4-methoxyphenyl)-N-methylpropanehydrazide
CID 116849075
(2S)-2-amino-3-(3,5-difluorophenyl)-N-(4-ethylphenyl)-N-methylpropanamide;sulfane
CID 161382530
(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide
CID 61154503
2-amino-N-methyl-3-(2-methyl-1,3-benzoxazol-5-yl)propanehydrazide
CID 116849128
2-amino-3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide
CID 116849113
(2S)-2-amino-N-cyclopropyl-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 61155702
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932
2-amino-3-(4-bromophenyl)propanoic acid;2-amino-3-(4-ethylphenyl)propanoic acid;ethane
CID 145152380
(2R)-2-amino-N-butyl-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104904581

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-ethylphenyl)-N-methylpropanehydrazide?
The IUPAC name of 2-amino-3-(4-ethylphenyl)-N-methylpropanehydrazide (CID 116849043) is 2-amino-3-(4-ethylphenyl)-N-methylpropanehydrazide.
What is the SMILES notation for 2-amino-3-(4-ethylphenyl)-N-methylpropanehydrazide?
The canonical SMILES for 2-amino-3-(4-ethylphenyl)-N-methylpropanehydrazide is CCc1ccc(CC(N)C(=O)N(C)N)cc1.
What is the InChIKey of 2-amino-3-(4-ethylphenyl)-N-methylpropanehydrazide?
The InChIKey is ACBRSPBMDNJYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-9-4-6-10(7-5-9)8-11(13)12(16)15(2)14/h4-7,11H,3,8,13-14H2,1-2H3.
What are the key properties of 2-amino-3-(4-ethylphenyl)-N-methylpropanehydrazide?
2-amino-3-(4-ethylphenyl)-N-methylpropanehydrazide has a molecular weight of 221.30 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-ethylphenyl)-N-methylpropanehydrazide is sourced from PubChem (CID 116849043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).