2-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzamide

C17H16N2O2 — CID 2187766

IUPAC2-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzamide
SMILESC/C(=C\c1ccccc1)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C17H16N2O2/c1-12(11-13-7-3-2-4-8-13)17(21)19-15-10-6-5-9-14(15)16(18)20/h2-11H,1H3,(H2,18,20)(H,19,21)/b12-11+
InChIKeyAYRJGXZSNMNQAI-VAWYXSNFSA-N
MW280.33 g/mol
LogP2.83
Rot. Bonds4

About 2-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzamide

2-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzamide (PubChem CID 2187766) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzamide
PubChem CID2187766
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzamide
SMILESC/C(=C\c1ccccc1)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C17H16N2O2/c1-12(11-13-7-3-2-4-8-13)17(21)19-15-10-6-5-9-14(15)16(18)20/h2-11H,1H3,(H2,18,20)(H,19,21)/b12-11+
InChIKeyAYRJGXZSNMNQAI-VAWYXSNFSA-N
XLogP2.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.83
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

methyl 2-[(2-methyl-3-phenylprop-2-enoyl)amino]benzoate
CID 890488
2-[[(E)-2-methyl-3-(4-methylphenyl)prop-2-enoyl]amino]benzoic acid
CID 23292276
2-[[(E)-3-(3-fluorophenyl)-2-methylprop-2-enoyl]amino]benzoic acid
CID 23292097
2-[[3-(3-chlorophenyl)-2-methylprop-2-enoyl]amino]benzoic acid
CID 54488597
2-[[(E)-3-(3,4-dichlorophenyl)-2-methylprop-2-enoyl]amino]benzoic acid
CID 23292237
N-hydroxy-2-methyl-3-phenylprop-2-enamide
CID 141089970
2-[(2-acetamido-3-phenylprop-2-enoyl)amino]benzoic acid
CID 139795518
N'-(2-carbamoylphenyl)-N-(2-ethylphenyl)oxamide
CID 108529346
N-(2-carbamoylphenyl)-N'-propan-2-yloxamide
CID 108503318
(E)-N-(5-chloro-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide
CID 6261301
(E)-N-(5-acetyl-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide
CID 110618434
2-[[(E)-1-[bromo(triphenyl)-λ5-phosphanyl]prop-1-en-2-yl]amino]benzamide
CID 134868727

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzamide?
The IUPAC name of 2-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzamide (CID 2187766) is 2-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzamide.
What is the SMILES notation for 2-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzamide?
The canonical SMILES for 2-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzamide is C/C(=C\c1ccccc1)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzamide?
The InChIKey is AYRJGXZSNMNQAI-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12(11-13-7-3-2-4-8-13)17(21)19-15-10-6-5-9-14(15)16(18)20/h2-11H,1H3,(H2,18,20)(H,19,21)/b12-11+.
What are the key properties of 2-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzamide?
2-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzamide has a molecular weight of 280.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]benzamide is sourced from PubChem (CID 2187766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).