2-amino-3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide

C13H21N3O2 — CID 116849927

IUPAC2-amino-3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide
SMILESCCOc1ccc(CC(N)C(=O)NN(C)C)cc1
InChIInChI=1S/C13H21N3O2/c1-4-18-11-7-5-10(6-8-11)9-12(14)13(17)15-16(2)3/h5-8,12H,4,9,14H2,1-3H3,(H,15,17)
InChIKeyLCHMNQUDPVOOCY-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.55
Rot. Bonds6

About 2-amino-3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide

2-amino-3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide (PubChem CID 116849927) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-amino-3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide.

Molecular Properties

Compound Name2-amino-3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide
PubChem CID116849927
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-amino-3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide
SMILESCCOc1ccc(CC(N)C(=O)NN(C)C)cc1
InChIInChI=1S/C13H21N3O2/c1-4-18-11-7-5-10(6-8-11)9-12(14)13(17)15-16(2)3/h5-8,12H,4,9,14H2,1-3H3,(H,15,17)
InChIKeyLCHMNQUDPVOOCY-UHFFFAOYSA-N
XLogP0.55
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N',N'-dimethyl-3-naphthalen-2-ylpropanehydrazide
CID 116849985
(2S)-2-amino-3-(4-butoxyphenyl)-N-hydroxypropanamide
CID 87750253
3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide
CID 116847579
benzyl 2-amino-3-(4-ethoxyphenyl)propanoate
CID 19804808
(2S)-2-amino-N-(4-ethoxyphenyl)-N-methyl-3-phenylpropanamide
CID 75513593
2-[1-[[[(2R)-2-amino-3-(4-ethoxyphenyl)propanoyl]amino]methyl]cyclohexyl]acetic acid
CID 10292134
2-amino-3-(3-fluorophenyl)-N',N'-dimethylpropanehydrazide
CID 116849968
3-amino-N-[2-(4-ethoxyphenyl)ethyl]-N-methylbutanamide
CID 115154407
[(2R)-2-amino-3-(4-ethoxyphenyl)propyl] N-methylcarbamate
CID 118340480
1-(4-ethoxyphenyl)butan-2-amine
CID 43566029
(2S)-3-(4-ethoxyphenyl)-2-(propan-2-ylamino)propanoic acid
CID 138647481
2-amino-N-[(4-ethoxyphenyl)methyl]-3-methoxypropanamide
CID 120985316

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide?
The IUPAC name of 2-amino-3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide (CID 116849927) is 2-amino-3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide.
What is the SMILES notation for 2-amino-3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide?
The canonical SMILES for 2-amino-3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide is CCOc1ccc(CC(N)C(=O)NN(C)C)cc1.
What is the InChIKey of 2-amino-3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide?
The InChIKey is LCHMNQUDPVOOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-18-11-7-5-10(6-8-11)9-12(14)13(17)15-16(2)3/h5-8,12H,4,9,14H2,1-3H3,(H,15,17).
What are the key properties of 2-amino-3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide?
2-amino-3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide has a molecular weight of 251.33 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide is sourced from PubChem (CID 116849927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).