2-amino-N-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]benzamide

C22H21N3O3 — CID 110339182

IUPAC2-amino-N-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccccc2N)c1OCc1ccccc1
InChIInChI=1S/C22H21N3O3/c1-27-20-13-7-10-17(21(20)28-15-16-8-3-2-4-9-16)14-24-25-22(26)18-11-5-6-12-19(18)23/h2-14H,15,23H2,1H3,(H,25,26)/b24-14+
InChIKeyDWLBHZQYNCQRGQ-ZVHZXABRSA-N
MW375.43 g/mol
LogP3.62
Rot. Bonds7

About 2-amino-N-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]benzamide

2-amino-N-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]benzamide (PubChem CID 110339182) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-amino-N-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-N-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]benzamide
PubChem CID110339182
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name2-amino-N-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cccc(/C=N/NC(=O)c2ccccc2N)c1OCc1ccccc1
InChIInChI=1S/C22H21N3O3/c1-27-20-13-7-10-17(21(20)28-15-16-8-3-2-4-9-16)14-24-25-22(26)18-11-5-6-12-19(18)23/h2-14H,15,23H2,1H3,(H,25,26)/b24-14+
InChIKeyDWLBHZQYNCQRGQ-ZVHZXABRSA-N
XLogP3.62
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-amino-N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 110340321
4-amino-N-[(Z)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 110514932
2-amino-N-[(Z)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 110512033
N-[[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-fluorobenzamide
CID 4174378
1-ethyl-N-[(Z)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523261
1-[(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]-3-methylthiourea
CID 4607886
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 96886048
2-methoxy-N-[(E)-(3-methoxy-2-propoxyphenyl)methylideneamino]benzamide
CID 110505829
N-[(Z)-(2-ethoxy-3-methoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509480
4-[[2-methoxy-6-[(Z)-(naphthalene-2-carbonylhydrazinylidene)methyl]phenoxy]methyl]benzoic acid
CID 126193155
3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6070681
4-[[2-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126190416

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-amino-N-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]benzamide (CID 110339182) is 2-amino-N-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-amino-N-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-amino-N-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]benzamide is COc1cccc(/C=N/NC(=O)c2ccccc2N)c1OCc1ccccc1.
What is the InChIKey of 2-amino-N-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]benzamide?
The InChIKey is DWLBHZQYNCQRGQ-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-27-20-13-7-10-17(21(20)28-15-16-8-3-2-4-9-16)14-24-25-22(26)18-11-5-6-12-19(18)23/h2-14H,15,23H2,1H3,(H,25,26)/b24-14+.
What are the key properties of 2-amino-N-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]benzamide?
2-amino-N-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]benzamide has a molecular weight of 375.43 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(E)-(3-methoxy-2-phenylmethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 110339182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).