N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl-methylamino]acetamide

C22H30N4O4 — CID 137129813

IUPACN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl-methylamino]acetamide
SMILESCOc1cccc(CN(C)CCN(C)CC(=O)N/N=C/c2cccc(OC)c2O)c1
InChIInChI=1S/C22H30N4O4/c1-25(15-17-7-5-9-19(13-17)29-3)11-12-26(2)16-21(27)24-23-14-18-8-6-10-20(30-4)22(18)28/h5-10,13-14,28H,11-12,15-16H2,1-4H3,(H,24,27)/b23-14+
InChIKeyXYXJCTUWOXYNRK-OEAKJJBVSA-N
MW414.51 g/mol
LogP1.92
Rot. Bonds11

About N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl-methylamino]acetamide

N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl-methylamino]acetamide (PubChem CID 137129813) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl-methylamino]acetamide
PubChem CID137129813
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl-methylamino]acetamide
SMILESCOc1cccc(CN(C)CCN(C)CC(=O)N/N=C/c2cccc(OC)c2O)c1
InChIInChI=1S/C22H30N4O4/c1-25(15-17-7-5-9-19(13-17)29-3)11-12-26(2)16-21(27)24-23-14-18-8-6-10-20(30-4)22(18)28/h5-10,13-14,28H,11-12,15-16H2,1-4H3,(H,24,27)/b23-14+
InChIKeyXYXJCTUWOXYNRK-OEAKJJBVSA-N
XLogP1.92
TPSA86.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 137044726
N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(3-methoxyphenyl)oxamide
CID 136704523
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 137138074
2-(3,4-dimethoxyphenyl)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135579478
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-nitroacetamide
CID 135645954
2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136764592
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 3618389
N-(2-methoxy-5-methylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8002693
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]hexanamide
CID 135458849
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 135679375
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 137044665

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl-methylamino]acetamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl-methylamino]acetamide (CID 137129813) is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl-methylamino]acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl-methylamino]acetamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl-methylamino]acetamide is COc1cccc(CN(C)CCN(C)CC(=O)N/N=C/c2cccc(OC)c2O)c1.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl-methylamino]acetamide?
The InChIKey is XYXJCTUWOXYNRK-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-25(15-17-7-5-9-19(13-17)29-3)11-12-26(2)16-21(27)24-23-14-18-8-6-10-20(30-4)22(18)28/h5-10,13-14,28H,11-12,15-16H2,1-4H3,(H,24,27)/b23-14+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl-methylamino]acetamide?
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl-methylamino]acetamide has a molecular weight of 414.51 g/mol, XLogP of 1.92, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-[2-[(3-methoxyphenyl)methyl-methylamino]ethyl-methylamino]acetamide is sourced from PubChem (CID 137129813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).