ethyl N-[[4-(N-methylanilino)phenyl]methylideneamino]carbamate

C17H19N3O2 — CID 5093637

IUPACethyl N-[[4-(N-methylanilino)phenyl]methylideneamino]carbamate
SMILESCCOC(=O)NN=Cc1ccc(N(C)c2ccccc2)cc1
InChIInChI=1S/C17H19N3O2/c1-3-22-17(21)19-18-13-14-9-11-16(12-10-14)20(2)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,19,21)
InChIKeyQJGDQXXROAYBOM-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.53
Rot. Bonds5

About ethyl N-[[4-(N-methylanilino)phenyl]methylideneamino]carbamate

ethyl N-[[4-(N-methylanilino)phenyl]methylideneamino]carbamate (PubChem CID 5093637) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is ethyl N-[[4-(N-methylanilino)phenyl]methylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[[4-(N-methylanilino)phenyl]methylideneamino]carbamate
PubChem CID5093637
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Nameethyl N-[[4-(N-methylanilino)phenyl]methylideneamino]carbamate
SMILESCCOC(=O)NN=Cc1ccc(N(C)c2ccccc2)cc1
InChIInChI=1S/C17H19N3O2/c1-3-22-17(21)19-18-13-14-9-11-16(12-10-14)20(2)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,19,21)
InChIKeyQJGDQXXROAYBOM-UHFFFAOYSA-N
XLogP3.53
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

ethyl N-[(Z)-[4-(N-methylanilino)phenyl]methylideneamino]carbamate
CID 6268460
ethyl N-[[4-(N-phenylanilino)phenyl]methylideneamino]carbamate
CID 4538267
ethyl N-[(E)-[4-(diethylamino)phenyl]methylideneamino]carbamate
CID 6861626
4-[(E)-(ethoxycarbonylhydrazinylidene)methyl]benzoic acid
CID 6861608
ethyl 4-[(E)-(ethoxycarbonylhydrazinylidene)methyl]benzoate
CID 90120945
ethyl N-[(Z)-naphthalen-2-ylmethylideneamino]carbamate
CID 5401750
ethyl N-[(4-propan-2-ylphenyl)methylideneamino]carbamate
CID 5007900
ethyl N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]carbamate
CID 6246560
ethyl N-[(E)-pyridin-4-ylmethylideneamino]carbamate
CID 5365476
ethyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
CID 6899031
N-[[4-(N-methylanilino)phenyl]methylideneamino]pyridine-4-carboxamide
CID 5149584
ethyl N-[(E)-(3-hydroxyphenyl)methylideneamino]carbamate
CID 6861610

Frequently Asked Questions

What is the IUPAC name of ethyl N-[[4-(N-methylanilino)phenyl]methylideneamino]carbamate?
The IUPAC name of ethyl N-[[4-(N-methylanilino)phenyl]methylideneamino]carbamate (CID 5093637) is ethyl N-[[4-(N-methylanilino)phenyl]methylideneamino]carbamate.
What is the SMILES notation for ethyl N-[[4-(N-methylanilino)phenyl]methylideneamino]carbamate?
The canonical SMILES for ethyl N-[[4-(N-methylanilino)phenyl]methylideneamino]carbamate is CCOC(=O)NN=Cc1ccc(N(C)c2ccccc2)cc1.
What is the InChIKey of ethyl N-[[4-(N-methylanilino)phenyl]methylideneamino]carbamate?
The InChIKey is QJGDQXXROAYBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-22-17(21)19-18-13-14-9-11-16(12-10-14)20(2)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3,(H,19,21).
What are the key properties of ethyl N-[[4-(N-methylanilino)phenyl]methylideneamino]carbamate?
ethyl N-[[4-(N-methylanilino)phenyl]methylideneamino]carbamate has a molecular weight of 297.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[4-(N-methylanilino)phenyl]methylideneamino]carbamate is sourced from PubChem (CID 5093637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).