4-tert-butyl-N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide

C29H28N2O2 — CID 94831763

IUPAC4-tert-butyl-N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
SMILESCC(C)(C)c1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc3ccccc23)cc1
InChIInChI=1S/C29H28N2O2/c1-29(2,3)25-17-15-22(16-18-25)28(32)31-30-19-23-10-5-7-14-27(23)33-20-24-12-8-11-21-9-4-6-13-26(21)24/h4-19H,20H2,1-3H3,(H,31,32)/b30-19-
InChIKeyRLTQJPWCLKNICR-FSGOGVSDSA-N
MW436.56 g/mol
LogP6.48
Rot. Bonds6

About 4-tert-butyl-N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide

4-tert-butyl-N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide (PubChem CID 94831763) has the molecular formula C29H28N2O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 4-tert-butyl-N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
PubChem CID94831763
Molecular FormulaC29H28N2O2
Molecular Weight436.56 g/mol
Exact Mass436.22
IUPAC Name4-tert-butyl-N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
SMILESCC(C)(C)c1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc3ccccc23)cc1
InChIInChI=1S/C29H28N2O2/c1-29(2,3)25-17-15-22(16-18-25)28(32)31-30-19-23-10-5-7-14-27(23)33-20-24-12-8-11-21-9-4-6-13-26(21)24/h4-19H,20H2,1-3H3,(H,31,32)/b30-19-
InChIKeyRLTQJPWCLKNICR-FSGOGVSDSA-N
XLogP6.48
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 56.48
H-Bond Donors ≤ 51
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

3-methyl-N-[(E)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 96892720
3-methoxy-N-[[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 3522022
N-[(E)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-propoxybenzamide
CID 133169709
methyl 4-[[2-[(Z)-[[4-[(4-tert-butylphenoxy)methyl]benzoyl]hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 6057527
4-chloro-N-[(E)-[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 110338654
4-tert-butyl-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 6868928
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 5416826
4-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5406601
N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
N-[(E)-[5-chloro-2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126332827
4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 4300474
4-bromo-N-[(E)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide
CID 91972520

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide?
The IUPAC name of 4-tert-butyl-N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide (CID 94831763) is 4-tert-butyl-N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide is CC(C)(C)c1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc3ccccc23)cc1.
What is the InChIKey of 4-tert-butyl-N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide?
The InChIKey is RLTQJPWCLKNICR-FSGOGVSDSA-N. The full InChI is InChI=1S/C29H28N2O2/c1-29(2,3)25-17-15-22(16-18-25)28(32)31-30-19-23-10-5-7-14-27(23)33-20-24-12-8-11-21-9-4-6-13-26(21)24/h4-19H,20H2,1-3H3,(H,31,32)/b30-19-.
What are the key properties of 4-tert-butyl-N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide?
4-tert-butyl-N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide has a molecular weight of 436.56 g/mol, XLogP of 6.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]benzamide is sourced from PubChem (CID 94831763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).