2-ethyl-N'-(2-methyl-1-phenylpropan-2-yl)butanehydrazide

C16H26N2O — CID 110168185

IUPAC2-ethyl-N'-(2-methyl-1-phenylpropan-2-yl)butanehydrazide
SMILESCCC(CC)C(=O)NNC(C)(C)Cc1ccccc1
InChIInChI=1S/C16H26N2O/c1-5-14(6-2)15(19)17-18-16(3,4)12-13-10-8-7-9-11-13/h7-11,14,18H,5-6,12H2,1-4H3,(H,17,19)
InChIKeyOMBKHIZKYIVKOZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.06
Rot. Bonds7

About 2-ethyl-N'-(2-methyl-1-phenylpropan-2-yl)butanehydrazide

2-ethyl-N'-(2-methyl-1-phenylpropan-2-yl)butanehydrazide (PubChem CID 110168185) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-ethyl-N'-(2-methyl-1-phenylpropan-2-yl)butanehydrazide.

Molecular Properties

Compound Name2-ethyl-N'-(2-methyl-1-phenylpropan-2-yl)butanehydrazide
PubChem CID110168185
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-ethyl-N'-(2-methyl-1-phenylpropan-2-yl)butanehydrazide
SMILESCCC(CC)C(=O)NNC(C)(C)Cc1ccccc1
InChIInChI=1S/C16H26N2O/c1-5-14(6-2)15(19)17-18-16(3,4)12-13-10-8-7-9-11-13/h7-11,14,18H,5-6,12H2,1-4H3,(H,17,19)
InChIKeyOMBKHIZKYIVKOZ-UHFFFAOYSA-N
XLogP3.06
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butan-2-yl-3-(2-methyl-1-phenylpropan-2-yl)urea
CID 110628349
2-ethyl-N-(2-phenylpropan-2-yl)butanamide
CID 13142331
1-ethyl-1-methyl-3-(2-methyl-1-phenylpropan-2-yl)urea
CID 114264076
2,2-dimethyl-N-(2-methyl-1-phenylpropan-2-yl)propanamide
CID 56921353
2-[butan-2-yl(methyl)amino]-2-methyl-3-phenylpropanoic acid
CID 114992824
N-[1-[3-(2,2-difluoropropyl)phenyl]-2-phenyl-1-[3-(2,2,2-trifluoroethyl)phenyl]ethyl]-2-ethylbutanamide
CID 143472236
alumane;3-benzylpentan-2-one
CID 174773852
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 2784737
5-[(2-methyl-1-phenylpropan-2-yl)amino]furan-2-carboxylic acid
CID 113360552
N-(2-methyl-1-phenylpropan-2-yl)-2-(N-methylsulfonylanilino)propanamide
CID 133162015
2-methyl-3-phenyl-2-sulfanylpropanoic acid
CID 19690137
3-O-benzyl 1-O-(2-ethylbutanoylamino) 2-aminopropanedioate
CID 54343929

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-(2-methyl-1-phenylpropan-2-yl)butanehydrazide?
The IUPAC name of 2-ethyl-N'-(2-methyl-1-phenylpropan-2-yl)butanehydrazide (CID 110168185) is 2-ethyl-N'-(2-methyl-1-phenylpropan-2-yl)butanehydrazide.
What is the SMILES notation for 2-ethyl-N'-(2-methyl-1-phenylpropan-2-yl)butanehydrazide?
The canonical SMILES for 2-ethyl-N'-(2-methyl-1-phenylpropan-2-yl)butanehydrazide is CCC(CC)C(=O)NNC(C)(C)Cc1ccccc1.
What is the InChIKey of 2-ethyl-N'-(2-methyl-1-phenylpropan-2-yl)butanehydrazide?
The InChIKey is OMBKHIZKYIVKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-14(6-2)15(19)17-18-16(3,4)12-13-10-8-7-9-11-13/h7-11,14,18H,5-6,12H2,1-4H3,(H,17,19).
What are the key properties of 2-ethyl-N'-(2-methyl-1-phenylpropan-2-yl)butanehydrazide?
2-ethyl-N'-(2-methyl-1-phenylpropan-2-yl)butanehydrazide has a molecular weight of 262.40 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-(2-methyl-1-phenylpropan-2-yl)butanehydrazide is sourced from PubChem (CID 110168185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).