N-[(E)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide

C20H21N3O5 — CID 126324774

IUPACN-[(E)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)N/N=C/c2cccc(OCC(N)=O)c2)cc1OC
InChIInChI=1S/C20H21N3O5/c1-3-9-27-17-8-7-15(11-18(17)26-2)20(25)23-22-12-14-5-4-6-16(10-14)28-13-19(21)24/h3-8,10-12H,1,9,13H2,2H3,(H2,21,24)(H,23,25)/b22-12+
InChIKeyXMXSGOJRSAKHJO-WSDLNYQXSA-N
MW383.40 g/mol
LogP1.89
Rot. Bonds10

About N-[(E)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide

N-[(E)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide (PubChem CID 126324774) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-[(E)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[(E)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
PubChem CID126324774
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC NameN-[(E)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)N/N=C/c2cccc(OCC(N)=O)c2)cc1OC
InChIInChI=1S/C20H21N3O5/c1-3-9-27-17-8-7-15(11-18(17)26-2)20(25)23-22-12-14-5-4-6-16(10-14)28-13-19(21)24/h3-8,10-12H,1,9,13H2,2H3,(H2,21,24)(H,23,25)/b22-12+
InChIKeyXMXSGOJRSAKHJO-WSDLNYQXSA-N
XLogP1.89
TPSA112.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 126324319
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxyphenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126307160
N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 46804116
N-[(E)-[4-(2-amino-2-oxoethoxy)-3-ethoxy-5-iodophenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126318858
2-[3-[(E)-[(3-methoxy-4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126329068
N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126322296
N-[(E)-[3-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126329870
4-fluoro-N-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 9016622
3-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 126323934
N-[(E)-(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide
CID 126337575
3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 6910508
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide
CID 5412030

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide?
The IUPAC name of N-[(E)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide (CID 126324774) is N-[(E)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[(E)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[(E)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)N/N=C/c2cccc(OCC(N)=O)c2)cc1OC.
What is the InChIKey of N-[(E)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide?
The InChIKey is XMXSGOJRSAKHJO-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-3-9-27-17-8-7-15(11-18(17)26-2)20(25)23-22-12-14-5-4-6-16(10-14)28-13-19(21)24/h3-8,10-12H,1,9,13H2,2H3,(H2,21,24)(H,23,25)/b22-12+.
What are the key properties of N-[(E)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide?
N-[(E)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide has a molecular weight of 383.40 g/mol, XLogP of 1.89, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxy-4-prop-2-enoxybenzamide is sourced from PubChem (CID 126324774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).