(2Z)-2-benzylidene-N-ethyl-3,3-dimethylbutanamide

C15H21NO — CID 70841269

IUPAC(2Z)-2-benzylidene-N-ethyl-3,3-dimethylbutanamide
SMILESCCNC(=O)/C(=C\c1ccccc1)C(C)(C)C
InChIInChI=1S/C15H21NO/c1-5-16-14(17)13(15(2,3)4)11-12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H,16,17)/b13-11+
InChIKeyYGJFQECEBOYZOI-ACCUITESSA-N
MW231.34 g/mol
LogP3.25
Rot. Bonds3

About (2Z)-2-benzylidene-N-ethyl-3,3-dimethylbutanamide

(2Z)-2-benzylidene-N-ethyl-3,3-dimethylbutanamide (PubChem CID 70841269) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (2Z)-2-benzylidene-N-ethyl-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2Z)-2-benzylidene-N-ethyl-3,3-dimethylbutanamide
PubChem CID70841269
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(2Z)-2-benzylidene-N-ethyl-3,3-dimethylbutanamide
SMILESCCNC(=O)/C(=C\c1ccccc1)C(C)(C)C
InChIInChI=1S/C15H21NO/c1-5-16-14(17)13(15(2,3)4)11-12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H,16,17)/b13-11+
InChIKeyYGJFQECEBOYZOI-ACCUITESSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E,5E)-3,5-dibenzylidene-2,2,6,6-tetramethylheptan-4-one
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2-benzylidene-3,3-dimethylbutanamide
CID 67615260
N-ethyl-2-oxo-4-phenylbut-3-enamide
CID 57196794
2-bromo-N-[3-(ethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 4128024
2-benzylidene-3,3-dimethylbutanoic acid;2-phenylethenol
CID 70130981
N-[(Z)-3-(ethylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
CID 2186045
N-(3-benzylidene-4,4-dimethylpentan-2-ylidene)hydroxylamine
CID 150998431
2-chloro-N-(ethylsulfonylmethyl)-3-phenylprop-2-enamide
CID 88653482
(Z)-2,2,6-trimethyl-7-phenylhept-6-en-3-one
CID 10376576
ethyl 2-(2,3-diphenylprop-2-enoylamino)acetate
CID 4270908
(2E)-2-benzylidene-N-[2-(4-fluorophenyl)-2-hydroxypropyl]butanamide
CID 110308997
5-methyl-6-phenylhex-5-en-3-one
CID 71411119

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-benzylidene-N-ethyl-3,3-dimethylbutanamide?
The IUPAC name of (2Z)-2-benzylidene-N-ethyl-3,3-dimethylbutanamide (CID 70841269) is (2Z)-2-benzylidene-N-ethyl-3,3-dimethylbutanamide.
What is the SMILES notation for (2Z)-2-benzylidene-N-ethyl-3,3-dimethylbutanamide?
The canonical SMILES for (2Z)-2-benzylidene-N-ethyl-3,3-dimethylbutanamide is CCNC(=O)/C(=C\c1ccccc1)C(C)(C)C.
What is the InChIKey of (2Z)-2-benzylidene-N-ethyl-3,3-dimethylbutanamide?
The InChIKey is YGJFQECEBOYZOI-ACCUITESSA-N. The full InChI is InChI=1S/C15H21NO/c1-5-16-14(17)13(15(2,3)4)11-12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H,16,17)/b13-11+.
What are the key properties of (2Z)-2-benzylidene-N-ethyl-3,3-dimethylbutanamide?
(2Z)-2-benzylidene-N-ethyl-3,3-dimethylbutanamide has a molecular weight of 231.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-benzylidene-N-ethyl-3,3-dimethylbutanamide is sourced from PubChem (CID 70841269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).