methyl N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]carbamate

C18H19N3O4 — CID 9075161

IUPACmethyl N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]carbamate
SMILESCOC(=O)N/N=C(/C)c1ccc(OCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H19N3O4/c1-13(20-21-18(23)24-2)14-8-10-16(11-9-14)25-12-17(22)19-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,19,22)(H,21,23)/b20-13-
InChIKeyOWUANMMNMVJZET-MOSHPQCFSA-N
MW341.37 g/mol
LogP2.78
Rot. Bonds6

About methyl N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]carbamate

methyl N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]carbamate (PubChem CID 9075161) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is methyl N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]carbamate
PubChem CID9075161
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Namemethyl N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]carbamate
SMILESCOC(=O)N/N=C(/C)c1ccc(OCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C18H19N3O4/c1-13(20-21-18(23)24-2)14-8-10-16(11-9-14)25-12-17(22)19-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,19,22)(H,21,23)/b20-13-
InChIKeyOWUANMMNMVJZET-MOSHPQCFSA-N
XLogP2.78
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.78
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'}

Analyze methyl N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]benzamide
CID 9058750
N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]-4-methoxybenzamide
CID 9359242
N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide
CID 9175372
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
4-(2-anilino-2-oxoethoxy)-N-phenylbenzamide
CID 10545541
2-(4-chlorophenyl)-N-[4-[C-methyl-N-[(2-phenoxyacetyl)amino]carbonimidoyl]phenyl]acetamide
CID 4151091
2-(4-iodophenoxy)-N-[(Z)-1-phenylethylideneamino]acetamide
CID 171980951
N-[4-[N-(benzenesulfonamido)-C-methylcarbonimidoyl]phenyl]-2-(4-chlorophenoxy)acetamide
CID 1004876
2-(4-ethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 905266
N-(4-acetamidophenyl)-2-phenoxyacetamide
CID 675023
2-chloro-N-[4-[(E)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 23094897
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914096

Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]carbamate?
The IUPAC name of methyl N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]carbamate (CID 9075161) is methyl N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]carbamate.
What is the SMILES notation for methyl N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]carbamate?
The canonical SMILES for methyl N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]carbamate is COC(=O)N/N=C(/C)c1ccc(OCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of methyl N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]carbamate?
The InChIKey is OWUANMMNMVJZET-MOSHPQCFSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-13(20-21-18(23)24-2)14-8-10-16(11-9-14)25-12-17(22)19-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,19,22)(H,21,23)/b20-13-.
What are the key properties of methyl N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]carbamate?
methyl N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]carbamate has a molecular weight of 341.37 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-1-[4-(2-anilino-2-oxoethoxy)phenyl]ethylideneamino]carbamate is sourced from PubChem (CID 9075161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).