3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide

C18H20N2O — CID 916412

IUPAC3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide
SMILESCc1cccc(C(=O)NN=Cc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C18H20N2O/c1-13(2)16-9-7-15(8-10-16)12-19-20-18(21)17-6-4-5-14(3)11-17/h4-13H,1-3H3,(H,20,21)
InChIKeyDKGGKNFREWLHLQ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.88
Rot. Bonds4

About 3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide

3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide (PubChem CID 916412) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide
PubChem CID916412
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide
SMILESCc1cccc(C(=O)NN=Cc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C18H20N2O/c1-13(2)16-9-7-15(8-10-16)12-19-20-18(21)17-6-4-5-14(3)11-17/h4-13H,1-3H3,(H,20,21)
InChIKeyDKGGKNFREWLHLQ-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
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

N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 136852017
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 135400409
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
3-nitro-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 5406628
3-methyl-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide
CID 5407114
3-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5417741
N-[(E)-[4-[(3-chlorophenyl)iminomethyl]phenyl]methylideneamino]-3-methylbenzamide
CID 71816319
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3-methylbenzamide
CID 5418894
N-[(Z)-furan-3-ylmethylideneamino]-3-methylbenzamide
CID 6231503
N-(furan-3-ylmethylideneamino)-3-methylbenzamide
CID 4923070
methyl 2-[4-[[(3-methylbenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 4036375
2,6-dimethyl-3-N,5-N-bis[(4-propan-2-ylphenyl)methylideneamino]pyridine-3,5-dicarboxamide
CID 5111295

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide?
The IUPAC name of 3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide (CID 916412) is 3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide is Cc1cccc(C(=O)NN=Cc2ccc(C(C)C)cc2)c1.
What is the InChIKey of 3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide?
The InChIKey is DKGGKNFREWLHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-13(2)16-9-7-15(8-10-16)12-19-20-18(21)17-6-4-5-14(3)11-17/h4-13H,1-3H3,(H,20,21).
What are the key properties of 3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide?
3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide has a molecular weight of 280.37 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 916412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).