2-[[(2E)-2-benzylidenebutanoyl]amino]-N-methylbenzamide

C19H20N2O2 — CID 110615682

IUPAC2-[[(2E)-2-benzylidenebutanoyl]amino]-N-methylbenzamide
SMILESCC/C(=C\c1ccccc1)C(=O)Nc1ccccc1C(=O)NC
InChIInChI=1S/C19H20N2O2/c1-3-15(13-14-9-5-4-6-10-14)18(22)21-17-12-8-7-11-16(17)19(23)20-2/h4-13H,3H2,1-2H3,(H,20,23)(H,21,22)/b15-13+
InChIKeyOBFUIVHNXRYFJG-FYWRMAATSA-N
MW308.38 g/mol
LogP3.48
Rot. Bonds5

About 2-[[(2E)-2-benzylidenebutanoyl]amino]-N-methylbenzamide

2-[[(2E)-2-benzylidenebutanoyl]amino]-N-methylbenzamide (PubChem CID 110615682) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[[(2E)-2-benzylidenebutanoyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[(2E)-2-benzylidenebutanoyl]amino]-N-methylbenzamide
PubChem CID110615682
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name2-[[(2E)-2-benzylidenebutanoyl]amino]-N-methylbenzamide
SMILESCC/C(=C\c1ccccc1)C(=O)Nc1ccccc1C(=O)NC
InChIInChI=1S/C19H20N2O2/c1-3-15(13-14-9-5-4-6-10-14)18(22)21-17-12-8-7-11-16(17)19(23)20-2/h4-13H,3H2,1-2H3,(H,20,23)(H,21,22)/b15-13+
InChIKeyOBFUIVHNXRYFJG-FYWRMAATSA-N
XLogP3.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.48
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-dimethylphenyl)butanamide
CID 101189502
N-methyl-2-[[(E)-3-phenylpent-2-enoyl]amino]benzamide
CID 110615658
(2E)-2-benzylidene-N-(2-methyl-1,3-benzoxazol-7-yl)butanamide
CID 110616979
2-(4-chlorobutanoylamino)-N-methylbenzamide
CID 17161020
N-methyl-2-(3-oxobutanoylamino)benzamide
CID 43579628
(2E)-N-(2-anilino-2-oxoethyl)-2-benzylidenebutanamide
CID 110304578
N-(4-chlorophenyl)-2-[[(2Z)-2-(fluoromethylidene)butanoyl]amino]benzamide
CID 142083334
N-methyl-2-[(2-pentoxybenzoyl)amino]benzamide
CID 17354032
(2E)-2-benzylidene-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]butanamide
CID 110615579
2-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzamide
CID 2187766
(2E)-2-benzylidene-N-(4-methoxybutyl)butanamide
CID 110617152
2-(1-anilinoethenylamino)-N-methylbenzamide
CID 59846622

Frequently Asked Questions

What is the IUPAC name of 2-[[(2E)-2-benzylidenebutanoyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[(2E)-2-benzylidenebutanoyl]amino]-N-methylbenzamide (CID 110615682) is 2-[[(2E)-2-benzylidenebutanoyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[(2E)-2-benzylidenebutanoyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[(2E)-2-benzylidenebutanoyl]amino]-N-methylbenzamide is CC/C(=C\c1ccccc1)C(=O)Nc1ccccc1C(=O)NC.
What is the InChIKey of 2-[[(2E)-2-benzylidenebutanoyl]amino]-N-methylbenzamide?
The InChIKey is OBFUIVHNXRYFJG-FYWRMAATSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-15(13-14-9-5-4-6-10-14)18(22)21-17-12-8-7-11-16(17)19(23)20-2/h4-13H,3H2,1-2H3,(H,20,23)(H,21,22)/b15-13+.
What are the key properties of 2-[[(2E)-2-benzylidenebutanoyl]amino]-N-methylbenzamide?
2-[[(2E)-2-benzylidenebutanoyl]amino]-N-methylbenzamide has a molecular weight of 308.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E)-2-benzylidenebutanoyl]amino]-N-methylbenzamide is sourced from PubChem (CID 110615682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).