N-[(E)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide

C17H17N3O4 — CID 126273932

IUPACN-[(E)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N/N=C/c2ccccc2OCC(N)=O)c1
InChIInChI=1S/C17H17N3O4/c1-23-14-7-4-6-12(9-14)17(22)20-19-10-13-5-2-3-8-15(13)24-11-16(18)21/h2-10H,11H2,1H3,(H2,18,21)(H,20,22)/b19-10+
InChIKeyOYOCDPRDUWOYTO-VXLYETTFSA-N
MW327.34 g/mol
LogP1.32
Rot. Bonds7

About N-[(E)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide

N-[(E)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide (PubChem CID 126273932) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[(E)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide
PubChem CID126273932
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-[(E)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N/N=C/c2ccccc2OCC(N)=O)c1
InChIInChI=1S/C17H17N3O4/c1-23-14-7-4-6-12(9-14)17(22)20-19-10-13-5-2-3-8-15(13)24-11-16(18)21/h2-10H,11H2,1H3,(H2,18,21)(H,20,22)/b19-10+
InChIKeyOYOCDPRDUWOYTO-VXLYETTFSA-N
XLogP1.32
TPSA103.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide
CID 5412030
3-methoxy-N-[(E)-[2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126267926
N-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]benzamide
CID 3660325
N-[(E)-[4-(2-amino-2-oxoethoxy)-3,5-dibromophenyl]methylideneamino]-3-methoxybenzamide
CID 126273928
N-[(E)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-ethoxy-4-propoxybenzamide
CID 126337753
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549
3,5-dimethoxy-N-[(Z)-(2-methoxyphenyl)methylideneamino]benzamide
CID 5427560
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
N-[(Z)-[2-[(3-chlorophenoxy)methyl]phenyl]methylideneamino]-3-methoxybenzamide
CID 126085873
N-[[5-bromo-2-[2-(2-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-3-methoxybenzamide
CID 3639594
3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4923315
N-[(2-bromo-5-methoxy-4-propoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 3979901

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide?
The IUPAC name of N-[(E)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide (CID 126273932) is N-[(E)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide.
What is the SMILES notation for N-[(E)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide?
The canonical SMILES for N-[(E)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide is COc1cccc(C(=O)N/N=C/c2ccccc2OCC(N)=O)c1.
What is the InChIKey of N-[(E)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide?
The InChIKey is OYOCDPRDUWOYTO-VXLYETTFSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-23-14-7-4-6-12(9-14)17(22)20-19-10-13-5-2-3-8-15(13)24-11-16(18)21/h2-10H,11H2,1H3,(H2,18,21)(H,20,22)/b19-10+.
What are the key properties of N-[(E)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide?
N-[(E)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide has a molecular weight of 327.34 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide is sourced from PubChem (CID 126273932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).