3-methyl-N-[(3-methyl-1-phenylbutylidene)amino]benzamide

C19H22N2O — CID 5191997

IUPAC3-methyl-N-[(3-methyl-1-phenylbutylidene)amino]benzamide
SMILESCc1cccc(C(=O)NN=C(CC(C)C)c2ccccc2)c1
InChIInChI=1S/C19H22N2O/c1-14(2)12-18(16-9-5-4-6-10-16)20-21-19(22)17-11-7-8-15(3)13-17/h4-11,13-14H,12H2,1-3H3,(H,21,22)
InChIKeyNHBLKELBMYWRES-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.18
Rot. Bonds5

About 3-methyl-N-[(3-methyl-1-phenylbutylidene)amino]benzamide

3-methyl-N-[(3-methyl-1-phenylbutylidene)amino]benzamide (PubChem CID 5191997) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-methyl-N-[(3-methyl-1-phenylbutylidene)amino]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(3-methyl-1-phenylbutylidene)amino]benzamide
PubChem CID5191997
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3-methyl-N-[(3-methyl-1-phenylbutylidene)amino]benzamide
SMILESCc1cccc(C(=O)NN=C(CC(C)C)c2ccccc2)c1
InChIInChI=1S/C19H22N2O/c1-14(2)12-18(16-9-5-4-6-10-16)20-21-19(22)17-11-7-8-15(3)13-17/h4-11,13-14H,12H2,1-3H3,(H,21,22)
InChIKeyNHBLKELBMYWRES-UHFFFAOYSA-N
XLogP4.18
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.18
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-methyl-N-[(2-nitroso-1-phenylethylidene)amino]benzamide
CID 91169409
N-[(3-methyl-1-phenylbutylidene)amino]-4-phenylbenzamide
CID 4581663
4-(diethylamino)-N-[(Z)-(3-methyl-1-phenylbutylidene)amino]benzamide
CID 7929117
3-methyl-N-[(Z)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6271545
N-[(Z)-4-methylpentan-2-ylideneamino]benzamide
CID 6030985
N-(4-methylphenyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide
CID 9179587
3-methyl-N-[(E)-[phenyl(pyridin-4-yl)methylidene]amino]benzamide
CID 6522388
N-[1-(4-methoxyphenyl)propylideneamino]-3-methylbenzamide
CID 840640
3-methyl-N-[4-[(1-phenylpentylideneamino)carbamoyl]phenyl]benzamide
CID 3326267
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
N-[1-(2-hydroxyphenyl)ethylideneamino]-3-methylbenzamide
CID 715799
N-(hexan-2-ylideneamino)-3-methylbenzamide
CID 5109597

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-methyl-1-phenylbutylidene)amino]benzamide?
The IUPAC name of 3-methyl-N-[(3-methyl-1-phenylbutylidene)amino]benzamide (CID 5191997) is 3-methyl-N-[(3-methyl-1-phenylbutylidene)amino]benzamide.
What is the SMILES notation for 3-methyl-N-[(3-methyl-1-phenylbutylidene)amino]benzamide?
The canonical SMILES for 3-methyl-N-[(3-methyl-1-phenylbutylidene)amino]benzamide is Cc1cccc(C(=O)NN=C(CC(C)C)c2ccccc2)c1.
What is the InChIKey of 3-methyl-N-[(3-methyl-1-phenylbutylidene)amino]benzamide?
The InChIKey is NHBLKELBMYWRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-14(2)12-18(16-9-5-4-6-10-16)20-21-19(22)17-11-7-8-15(3)13-17/h4-11,13-14H,12H2,1-3H3,(H,21,22).
What are the key properties of 3-methyl-N-[(3-methyl-1-phenylbutylidene)amino]benzamide?
3-methyl-N-[(3-methyl-1-phenylbutylidene)amino]benzamide has a molecular weight of 294.40 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-methyl-1-phenylbutylidene)amino]benzamide is sourced from PubChem (CID 5191997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).