4-acetamido-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide

C19H21N3O2 — CID 5417702

IUPAC4-acetamido-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C(/c2ccccc2)C(C)C)cc1
InChIInChI=1S/C19H21N3O2/c1-13(2)18(15-7-5-4-6-8-15)21-22-19(24)16-9-11-17(12-10-16)20-14(3)23/h4-13H,1-3H3,(H,20,23)(H,22,24)/b21-18+
InChIKeyHHVSCUDRQBSGMF-DYTRJAOYSA-N
MW323.40 g/mol
LogP3.44
Rot. Bonds5

About 4-acetamido-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide

4-acetamido-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide (PubChem CID 5417702) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-acetamido-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide
PubChem CID5417702
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-acetamido-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide
SMILESCC(=O)Nc1ccc(C(=O)N/N=C(/c2ccccc2)C(C)C)cc1
InChIInChI=1S/C19H21N3O2/c1-13(2)18(15-7-5-4-6-8-15)21-22-19(24)16-9-11-17(12-10-16)20-14(3)23/h4-13H,1-3H3,(H,20,23)(H,22,24)/b21-18+
InChIKeyHHVSCUDRQBSGMF-DYTRJAOYSA-N
XLogP3.44
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N-[(2-methyl-1-phenylpropylidene)amino]benzamide
CID 3512909
N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide
CID 904362
N-[(2-methyl-1-phenylpropylidene)amino]-4-prop-2-enoxybenzamide
CID 4982210
[(2-methyl-1-phenylpropylidene)amino]urea
CID 73200660
4-acetamido-N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 4510499
3-methoxy-N-[(2-methyl-1-phenylpropylidene)amino]benzamide
CID 4152734
3-bromo-4-methoxy-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide
CID 6314277
4-acetamido-N-[(Z)-benzylideneamino]benzamide
CID 5397950
N-[(E)-(2-methyl-1-phenylpropylidene)amino]thiophene-2-carboxamide
CID 6154232
N-[(E)-[1-(furan-2-yl)-2-methylpropylidene]amino]benzamide
CID 134884255
4-benzamido-N-[(Z)-1-(4-bromophenyl)ethylideneamino]benzamide
CID 6272222
4-methyl-N-[(2-methyl-1-phenylpropylidene)amino]-3-nitrobenzamide
CID 4183626

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide?
The IUPAC name of 4-acetamido-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide (CID 5417702) is 4-acetamido-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide.
What is the SMILES notation for 4-acetamido-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide?
The canonical SMILES for 4-acetamido-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide is CC(=O)Nc1ccc(C(=O)N/N=C(/c2ccccc2)C(C)C)cc1.
What is the InChIKey of 4-acetamido-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide?
The InChIKey is HHVSCUDRQBSGMF-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13(2)18(15-7-5-4-6-8-15)21-22-19(24)16-9-11-17(12-10-16)20-14(3)23/h4-13H,1-3H3,(H,20,23)(H,22,24)/b21-18+.
What are the key properties of 4-acetamido-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide?
4-acetamido-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide has a molecular weight of 323.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide is sourced from PubChem (CID 5417702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).