N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-methoxybenzamide

C17H17N3O4 — CID 6874443

IUPACN-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1
InChIInChI=1S/C17H17N3O4/c1-23-14-8-4-13(5-9-14)17(22)20-19-10-12-2-6-15(7-3-12)24-11-16(18)21/h2-10H,11H2,1H3,(H2,18,21)(H,20,22)/b19-10+
InChIKeyUZVYBUORMBVGAN-VXLYETTFSA-N
MW327.34 g/mol
LogP1.32
Rot. Bonds7

About N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-methoxybenzamide

N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-methoxybenzamide (PubChem CID 6874443) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-methoxybenzamide
PubChem CID6874443
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1
InChIInChI=1S/C17H17N3O4/c1-23-14-8-4-13(5-9-14)17(22)20-19-10-12-2-6-15(7-3-12)24-11-16(18)21/h2-10H,11H2,1H3,(H2,18,21)(H,20,22)/b19-10+
InChIKeyUZVYBUORMBVGAN-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-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide
CID 96885337
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide
CID 5412030
N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-phenylbenzamide
CID 24819612
4-methoxy-N-[(Z)-[4-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 92850497
N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126322296
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 6871859
4-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 584913
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-(3-methylbutoxy)benzamide
CID 6390033
methyl 2-[4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 94833156
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
4-methoxy-N-[(E)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
CID 126012880

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-methoxybenzamide?
The IUPAC name of N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-methoxybenzamide (CID 6874443) is N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-methoxybenzamide.
What is the SMILES notation for N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-methoxybenzamide?
The canonical SMILES for N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-methoxybenzamide is COc1ccc(C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1.
What is the InChIKey of N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-methoxybenzamide?
The InChIKey is UZVYBUORMBVGAN-VXLYETTFSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-23-14-8-4-13(5-9-14)17(22)20-19-10-12-2-6-15(7-3-12)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)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-methoxybenzamide?
N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-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)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-methoxybenzamide is sourced from PubChem (CID 6874443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).