N-[(E)-1-(3,4-diethoxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide

C22H28N2O3 — CID 133170959

IUPACN-[(E)-1-(3,4-diethoxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
SMILESCCOc1ccc(/C(C)=N/NC(=O)Cc2ccc(C)cc2C)cc1OCC
InChIInChI=1S/C22H28N2O3/c1-6-26-20-11-10-19(13-21(20)27-7-2)17(5)23-24-22(25)14-18-9-8-15(3)12-16(18)4/h8-13H,6-7,14H2,1-5H3,(H,24,25)/b23-17+
InChIKeyLHSYUJLAVJZWOR-HAVVHWLPSA-N
MW368.48 g/mol
LogP4.18
Rot. Bonds8

About N-[(E)-1-(3,4-diethoxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide

N-[(E)-1-(3,4-diethoxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide (PubChem CID 133170959) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[(E)-1-(3,4-diethoxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-1-(3,4-diethoxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
PubChem CID133170959
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[(E)-1-(3,4-diethoxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
SMILESCCOc1ccc(/C(C)=N/NC(=O)Cc2ccc(C)cc2C)cc1OCC
InChIInChI=1S/C22H28N2O3/c1-6-26-20-11-10-19(13-21(20)27-7-2)17(5)23-24-22(25)14-18-9-8-15(3)12-16(18)4/h8-13H,6-7,14H2,1-5H3,(H,24,25)/b23-17+
InChIKeyLHSYUJLAVJZWOR-HAVVHWLPSA-N
XLogP4.18
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-1-(4-chlorophenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657750
N-[(E)-1-(4-tert-butylphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143871
N-[(E)-1-(3,5-diethylphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133170971
2-(2,4-dimethylphenyl)-N-[(E)-1-(4-phenoxyphenyl)ethylideneamino]acetamide
CID 133170962
2-(2,4-dimethylphenyl)-N-[(Z)-1-(3,5-dimethyl-4-propan-2-yloxyphenyl)ethylideneamino]acetamide
CID 92658035
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)acetamide
CID 100755758
2-(2,4-dimethylphenyl)-N-[(Z)-1-(2-hydroxy-4-methylphenyl)ethylideneamino]acetamide
CID 136727512
2-(2,4-dimethylphenyl)-N-[(Z)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
CID 136727508
2-(2,4-dimethylphenyl)-N-[(E)-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 133144043
tert-butyl N-[(Z)-1-(3,4-diethoxyphenyl)ethylideneamino]carbamate
CID 9074564
N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-4-methoxybenzamide
CID 46590873
2-(2,4-dimethylphenoxy)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 92847264

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(3,4-diethoxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The IUPAC name of N-[(E)-1-(3,4-diethoxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide (CID 133170959) is N-[(E)-1-(3,4-diethoxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(E)-1-(3,4-diethoxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[(E)-1-(3,4-diethoxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide is CCOc1ccc(/C(C)=N/NC(=O)Cc2ccc(C)cc2C)cc1OCC.
What is the InChIKey of N-[(E)-1-(3,4-diethoxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide?
The InChIKey is LHSYUJLAVJZWOR-HAVVHWLPSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-6-26-20-11-10-19(13-21(20)27-7-2)17(5)23-24-22(25)14-18-9-8-15(3)12-16(18)4/h8-13H,6-7,14H2,1-5H3,(H,24,25)/b23-17+.
What are the key properties of N-[(E)-1-(3,4-diethoxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide?
N-[(E)-1-(3,4-diethoxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide has a molecular weight of 368.48 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(3,4-diethoxyphenyl)ethylideneamino]-2-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 133170959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).