2,4-dimethyl-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide

C18H20N2O — CID 7392408

IUPAC2,4-dimethyl-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
SMILESCc1ccc(C(=O)N/N=C\[C@H](C)c2ccccc2)c(C)c1
InChIInChI=1S/C18H20N2O/c1-13-9-10-17(14(2)11-13)18(21)20-19-12-15(3)16-7-5-4-6-8-16/h4-12,15H,1-3H3,(H,20,21)/b19-12-/t15-/m0/s1
InChIKeyLVBFNKTWFUMMQR-CCRNYGKSSA-N
MW280.37 g/mol
LogP3.82
Rot. Bonds4

About 2,4-dimethyl-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide

2,4-dimethyl-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide (PubChem CID 7392408) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
PubChem CID7392408
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2,4-dimethyl-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
SMILESCc1ccc(C(=O)N/N=C\[C@H](C)c2ccccc2)c(C)c1
InChIInChI=1S/C18H20N2O/c1-13-9-10-17(14(2)11-13)18(21)20-19-12-15(3)16-7-5-4-6-8-16/h4-12,15H,1-3H3,(H,20,21)/b19-12-/t15-/m0/s1
InChIKeyLVBFNKTWFUMMQR-CCRNYGKSSA-N
XLogP3.82
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-hydroxy-N-(2-phenylpropylideneamino)naphthalene-2-carboxamide
CID 3305343
4-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7722367
2-methyl-N-(2-methylpropylideneamino)benzamide
CID 4623987
N-(2-phenylpropylideneamino)-N'-[(E)-2-phenylpropylideneamino]oxamide
CID 21214243
4-tert-butyl-N-(2-phenylpropylideneamino)benzamide
CID 4694795
4-chloro-N-[(E)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 7353788
4-methyl-3-nitro-N-(2-phenylpropylideneamino)benzamide
CID 4992435
2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide
CID 26778990
2,4-dimethyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide
CID 6901568
3-fluoro-N-[(Z)-[(2S)-2-phenylpropylidene]amino]benzamide
CID 7723125
3-fluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 5391559
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(Z)-[(2R)-2-phenylpropylidene]amino]acetamide
CID 7728220

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide?
The IUPAC name of 2,4-dimethyl-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide (CID 7392408) is 2,4-dimethyl-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide is Cc1ccc(C(=O)N/N=C\[C@H](C)c2ccccc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide?
The InChIKey is LVBFNKTWFUMMQR-CCRNYGKSSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13-9-10-17(14(2)11-13)18(21)20-19-12-15(3)16-7-5-4-6-8-16/h4-12,15H,1-3H3,(H,20,21)/b19-12-/t15-/m0/s1.
What are the key properties of 2,4-dimethyl-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide?
2,4-dimethyl-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide has a molecular weight of 280.37 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide is sourced from PubChem (CID 7392408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).