N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3,5-bis(2-methylpentan-2-yl)benzamide

C27H38N2O2 — CID 136630268

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3,5-bis(2-methylpentan-2-yl)benzamide
SMILESCCCC(C)(C)c1cc(C(=O)N/N=C/c2ccccc2O)cc(C(C)(C)CCC)c1C
InChIInChI=1S/C27H38N2O2/c1-8-14-26(4,5)22-16-21(17-23(19(22)3)27(6,7)15-9-2)25(31)29-28-18-20-12-10-11-13-24(20)30/h10-13,16-18,30H,8-9,14-15H2,1-7H3,(H,29,31)/b28-18+
InChIKeyVPZKZDFGJFBGDY-MTDXEUNCSA-N
MW422.61 g/mol
LogP6.62
Rot. Bonds9

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3,5-bis(2-methylpentan-2-yl)benzamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3,5-bis(2-methylpentan-2-yl)benzamide (PubChem CID 136630268) has the molecular formula C27H38N2O2 and a molecular weight of 422.61 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3,5-bis(2-methylpentan-2-yl)benzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3,5-bis(2-methylpentan-2-yl)benzamide
PubChem CID136630268
Molecular FormulaC27H38N2O2
Molecular Weight422.61 g/mol
Exact Mass422.29
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3,5-bis(2-methylpentan-2-yl)benzamide
SMILESCCCC(C)(C)c1cc(C(=O)N/N=C/c2ccccc2O)cc(C(C)(C)CCC)c1C
InChIInChI=1S/C27H38N2O2/c1-8-14-26(4,5)22-16-21(17-23(19(22)3)27(6,7)15-9-2)25(31)29-28-18-20-12-10-11-13-24(20)30/h10-13,16-18,30H,8-9,14-15H2,1-7H3,(H,29,31)/b28-18+
InChIKeyVPZKZDFGJFBGDY-MTDXEUNCSA-N
XLogP6.62
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.61
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3,5-bis(2-methylpentan-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dihydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135708473
3-hydroxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-5-methylbenzamide
CID 172933707
4-butoxy-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136762755
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 135406892
N-[(E)-(2-hydroxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135608250
3-(dimethylamino)-N-[(2-hydroxyphenyl)methylideneamino]benzamide
CID 137065890
3,5-ditert-butyl-4-hydroxy-N-[(E)-(3-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 135437725
N-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide
CID 4570338
ethyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamate
CID 135478857
N-[(E)-(2-hydroxyphenyl)methylideneamino]pentanamide
CID 135509646
N-[(2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 827697
[4-[[(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-dimethylazanium
CID 146938303

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3,5-bis(2-methylpentan-2-yl)benzamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3,5-bis(2-methylpentan-2-yl)benzamide (CID 136630268) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3,5-bis(2-methylpentan-2-yl)benzamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3,5-bis(2-methylpentan-2-yl)benzamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3,5-bis(2-methylpentan-2-yl)benzamide is CCCC(C)(C)c1cc(C(=O)N/N=C/c2ccccc2O)cc(C(C)(C)CCC)c1C.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3,5-bis(2-methylpentan-2-yl)benzamide?
The InChIKey is VPZKZDFGJFBGDY-MTDXEUNCSA-N. The full InChI is InChI=1S/C27H38N2O2/c1-8-14-26(4,5)22-16-21(17-23(19(22)3)27(6,7)15-9-2)25(31)29-28-18-20-12-10-11-13-24(20)30/h10-13,16-18,30H,8-9,14-15H2,1-7H3,(H,29,31)/b28-18+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3,5-bis(2-methylpentan-2-yl)benzamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3,5-bis(2-methylpentan-2-yl)benzamide has a molecular weight of 422.61 g/mol, XLogP of 6.62, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-methyl-3,5-bis(2-methylpentan-2-yl)benzamide is sourced from PubChem (CID 136630268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).