2-[2-methoxyethyl(pentan-3-yl)amino]-2-phenylacetohydrazide

C16H27N3O2 — CID 63577148

IUPAC2-[2-methoxyethyl(pentan-3-yl)amino]-2-phenylacetohydrazide
SMILESCCC(CC)N(CCOC)C(C(=O)NN)c1ccccc1
InChIInChI=1S/C16H27N3O2/c1-4-14(5-2)19(11-12-21-3)15(16(20)18-17)13-9-7-6-8-10-13/h6-10,14-15H,4-5,11-12,17H2,1-3H3,(H,18,20)
InChIKeyHSHNJKTWAUDOFW-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.85
Rot. Bonds9

About 2-[2-methoxyethyl(pentan-3-yl)amino]-2-phenylacetohydrazide

2-[2-methoxyethyl(pentan-3-yl)amino]-2-phenylacetohydrazide (PubChem CID 63577148) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[2-methoxyethyl(pentan-3-yl)amino]-2-phenylacetohydrazide.

Molecular Properties

Compound Name2-[2-methoxyethyl(pentan-3-yl)amino]-2-phenylacetohydrazide
PubChem CID63577148
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[2-methoxyethyl(pentan-3-yl)amino]-2-phenylacetohydrazide
SMILESCCC(CC)N(CCOC)C(C(=O)NN)c1ccccc1
InChIInChI=1S/C16H27N3O2/c1-4-14(5-2)19(11-12-21-3)15(16(20)18-17)13-9-7-6-8-10-13/h6-10,14-15H,4-5,11-12,17H2,1-3H3,(H,18,20)
InChIKeyHSHNJKTWAUDOFW-UHFFFAOYSA-N
XLogP1.85
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-phenyl-2-[propan-2-yl(propyl)amino]acetohydrazide
CID 63573273
2-(dipropylamino)-2-phenylacetohydrazide
CID 63569909
ethyl 2-[2-hydroxyethyl(pentan-3-yl)amino]-2-phenylacetate
CID 106677068
3-[2-methoxyethyl(pentan-3-yl)amino]-3-phenylpropanethioamide
CID 62780451
2-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylacetohydrazide
CID 81068829
2-[methyl(pentan-2-yl)amino]-2-phenylacetohydrazide
CID 63571994
ethyl 2-[ethyl(2-methoxyethyl)amino]-2-phenylacetate
CID 103873121
2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 62243860
2-[methyl(3-methylbutyl)amino]-2-phenylacetohydrazide
CID 63578760
3-[3-methoxypropyl(methyl)amino]-2-phenylpropanehydrazide
CID 64566055
2-(3-methoxypropoxy)-2-phenylacetohydrazide
CID 63587948
2-[butyl(2-hydroxyethyl)amino]-2-phenylacetohydrazide
CID 55213465

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(pentan-3-yl)amino]-2-phenylacetohydrazide?
The IUPAC name of 2-[2-methoxyethyl(pentan-3-yl)amino]-2-phenylacetohydrazide (CID 63577148) is 2-[2-methoxyethyl(pentan-3-yl)amino]-2-phenylacetohydrazide.
What is the SMILES notation for 2-[2-methoxyethyl(pentan-3-yl)amino]-2-phenylacetohydrazide?
The canonical SMILES for 2-[2-methoxyethyl(pentan-3-yl)amino]-2-phenylacetohydrazide is CCC(CC)N(CCOC)C(C(=O)NN)c1ccccc1.
What is the InChIKey of 2-[2-methoxyethyl(pentan-3-yl)amino]-2-phenylacetohydrazide?
The InChIKey is HSHNJKTWAUDOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-14(5-2)19(11-12-21-3)15(16(20)18-17)13-9-7-6-8-10-13/h6-10,14-15H,4-5,11-12,17H2,1-3H3,(H,18,20).
What are the key properties of 2-[2-methoxyethyl(pentan-3-yl)amino]-2-phenylacetohydrazide?
2-[2-methoxyethyl(pentan-3-yl)amino]-2-phenylacetohydrazide has a molecular weight of 293.41 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(pentan-3-yl)amino]-2-phenylacetohydrazide is sourced from PubChem (CID 63577148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).