(2E)-N-(2-anilino-2-oxoethyl)-2-benzylidenebutanamide

C19H20N2O2 — CID 110304578

IUPAC(2E)-N-(2-anilino-2-oxoethyl)-2-benzylidenebutanamide
SMILESCC/C(=C\c1ccccc1)C(=O)NCC(=O)Nc1ccccc1
InChIInChI=1S/C19H20N2O2/c1-2-16(13-15-9-5-3-6-10-15)19(23)20-14-18(22)21-17-11-7-4-8-12-17/h3-13H,2,14H2,1H3,(H,20,23)(H,21,22)/b16-13+
InChIKeyUUAVKOOQAWYCKT-DTQAZKPQSA-N
MW308.38 g/mol
LogP3.23
Rot. Bonds6

About (2E)-N-(2-anilino-2-oxoethyl)-2-benzylidenebutanamide

(2E)-N-(2-anilino-2-oxoethyl)-2-benzylidenebutanamide (PubChem CID 110304578) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (2E)-N-(2-anilino-2-oxoethyl)-2-benzylidenebutanamide.

Molecular Properties

Compound Name(2E)-N-(2-anilino-2-oxoethyl)-2-benzylidenebutanamide
PubChem CID110304578
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(2E)-N-(2-anilino-2-oxoethyl)-2-benzylidenebutanamide
SMILESCC/C(=C\c1ccccc1)C(=O)NCC(=O)Nc1ccccc1
InChIInChI=1S/C19H20N2O2/c1-2-16(13-15-9-5-3-6-10-15)19(23)20-14-18(22)21-17-11-7-4-8-12-17/h3-13H,2,14H2,1H3,(H,20,23)(H,21,22)/b16-13+
InChIKeyUUAVKOOQAWYCKT-DTQAZKPQSA-N
XLogP3.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-benzylidene-N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]butanamide
CID 110615408
(2E)-2-benzylidene-N-(4-methoxybutyl)butanamide
CID 110617152
(2E)-2-benzylidene-N-(furan-2-ylmethyl)butanamide
CID 110298754
(2E)-2-benzylidene-N-(2,4-dimethylphenyl)butanamide
CID 101189502
(2E)-2-benzylidene-N-[2-(4-fluorophenyl)-2-hydroxypropyl]butanamide
CID 110308997
ethane;methane;N-phenylpropanamide
CID 159778408
2-[[(2E)-2-benzylidenebutanoyl]amino]-N-methylbenzamide
CID 110615682
2-[[(2E)-2-[(3-hydroxyphenyl)methylidene]butanoyl]amino]acetate
CID 7784434
(E,4E)-4-benzylidene-N-phenylhex-2-enamide
CID 44565300
ethyl 2-(2,3-diphenylprop-2-enoylamino)acetate
CID 4270908
(E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9411615
(E)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methyl-3-phenylprop-2-enamide
CID 110305319

Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2-anilino-2-oxoethyl)-2-benzylidenebutanamide?
The IUPAC name of (2E)-N-(2-anilino-2-oxoethyl)-2-benzylidenebutanamide (CID 110304578) is (2E)-N-(2-anilino-2-oxoethyl)-2-benzylidenebutanamide.
What is the SMILES notation for (2E)-N-(2-anilino-2-oxoethyl)-2-benzylidenebutanamide?
The canonical SMILES for (2E)-N-(2-anilino-2-oxoethyl)-2-benzylidenebutanamide is CC/C(=C\c1ccccc1)C(=O)NCC(=O)Nc1ccccc1.
What is the InChIKey of (2E)-N-(2-anilino-2-oxoethyl)-2-benzylidenebutanamide?
The InChIKey is UUAVKOOQAWYCKT-DTQAZKPQSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-16(13-15-9-5-3-6-10-15)19(23)20-14-18(22)21-17-11-7-4-8-12-17/h3-13H,2,14H2,1H3,(H,20,23)(H,21,22)/b16-13+.
What are the key properties of (2E)-N-(2-anilino-2-oxoethyl)-2-benzylidenebutanamide?
(2E)-N-(2-anilino-2-oxoethyl)-2-benzylidenebutanamide has a molecular weight of 308.38 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2-anilino-2-oxoethyl)-2-benzylidenebutanamide is sourced from PubChem (CID 110304578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).