4-[(4-propan-2-ylphenyl)methylideneamino]benzamide

C17H18N2O — CID 1240043

IUPAC4-[(4-propan-2-ylphenyl)methylideneamino]benzamide
SMILESCC(C)c1ccc(/C=N/c2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C17H18N2O/c1-12(2)14-5-3-13(4-6-14)11-19-16-9-7-15(8-10-16)17(18)20/h3-12H,1-2H3,(H2,18,20)/b19-11+
InChIKeyIGFRKEGHUVQIOI-YBFXNURJSA-N
MW266.34 g/mol
LogP3.66
Rot. Bonds4

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

4-[(4-propan-2-ylphenyl)methylideneamino]benzamide (PubChem CID 1240043) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[(4-propan-2-ylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(4-propan-2-ylphenyl)methylideneamino]benzamide
PubChem CID1240043
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-[(4-propan-2-ylphenyl)methylideneamino]benzamide
SMILESCC(C)c1ccc(/C=N/c2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C17H18N2O/c1-12(2)14-5-3-13(4-6-14)11-19-16-9-7-15(8-10-16)17(18)20/h3-12H,1-2H3,(H2,18,20)/b19-11+
InChIKeyIGFRKEGHUVQIOI-YBFXNURJSA-N
XLogP3.66
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]ethanone
CID 4017717
4-(naphthalen-2-ylmethylideneamino)benzamide
CID 791141
4-[[4-[bis[4-[(4-carboxyphenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]benzoic acid
CID 122371002
N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]butanamide
CID 835055
4-[[4-[(4-carboxyphenyl)iminomethyl]phenyl]methylideneamino]benzoic acid
CID 3419658
4-(4-propan-2-ylphenoxy)benzamide
CID 142414866
4-[(5-methylfuran-2-yl)methylideneamino]benzamide
CID 794816
N-[4-[(4-propan-2-ylphenyl)methylideneamino]phenyl]heptanamide
CID 56695059
4-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 792365
4-[(4-methylphenyl)iminomethyl]benzoic acid
CID 3402295
4-[(2-methylphenyl)methylideneamino]benzamide
CID 969218
4-(1-hydroxyethyl)benzamide
CID 22716490

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-ylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-[(4-propan-2-ylphenyl)methylideneamino]benzamide (CID 1240043) is 4-[(4-propan-2-ylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(4-propan-2-ylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[(4-propan-2-ylphenyl)methylideneamino]benzamide is CC(C)c1ccc(/C=N/c2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[(4-propan-2-ylphenyl)methylideneamino]benzamide?
The InChIKey is IGFRKEGHUVQIOI-YBFXNURJSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12(2)14-5-3-13(4-6-14)11-19-16-9-7-15(8-10-16)17(18)20/h3-12H,1-2H3,(H2,18,20)/b19-11+.
What are the key properties of 4-[(4-propan-2-ylphenyl)methylideneamino]benzamide?
4-[(4-propan-2-ylphenyl)methylideneamino]benzamide has a molecular weight of 266.34 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-ylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 1240043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).