ethyl N-[1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]carbamate

C18H19ClN2O3 — CID 4101468

IUPACethyl N-[1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]carbamate
SMILESCCOC(=O)NN=C(C)c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-3-23-18(22)21-20-13(2)15-6-10-17(11-7-15)24-12-14-4-8-16(19)9-5-14/h4-11H,3,12H2,1-2H3,(H,21,22)
InChIKeyGWWKUBBKFVUMNI-UHFFFAOYSA-N
MW346.81 g/mol
LogP4.39
Rot. Bonds6

About ethyl N-[1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]carbamate

ethyl N-[1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]carbamate (PubChem CID 4101468) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is ethyl N-[1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]carbamate
PubChem CID4101468
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Nameethyl N-[1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]carbamate
SMILESCCOC(=O)NN=C(C)c1ccc(OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-3-23-18(22)21-20-13(2)15-6-10-17(11-7-15)24-12-14-4-8-16(19)9-5-14/h4-11H,3,12H2,1-2H3,(H,21,22)
InChIKeyGWWKUBBKFVUMNI-UHFFFAOYSA-N
XLogP4.39
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.39
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 (2Z)-2-(4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}benzylidene)hydrazinecarboxylate
CID 25237296
Ethyl 2-{2-[(4-chlorobenzyl)oxy]benzylidene}hydrazinecarboxylate
CID 9564968
ethyl N-[(4-phenoxyphenyl)methylideneamino]carbamate
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N'-(4-Chlorobenzylidene)-2-(4-propylphenoxy)acetohydrazide
CID 5410624
5-{4-[(2,4-dichlorobenzyl)oxy]phenyl}-1,3,4-oxadiazol-2(3H)-one
CID 3727528
[(E)-[1-(4-chlorophenyl)-2-phenoxyethylidene]amino]thiourea
CID 155536601
5-[3-(4-phenoxyphenyl)propyl]-3H-1,3,4-oxadiazol-2-one
CID 9922216
[(Z)-1-[4-(4-chlorophenoxy)phenyl]ethylideneamino]urea
CID 44351731
[(Z)-1-[4-(4-chlorophenoxy)phenyl]propylideneamino]urea
CID 44351944
[(Z)-1-[2-(4-chlorophenoxy)phenyl]ethylideneamino]urea
CID 44351987
[(Z)-1-(4-phenoxyphenyl)propylideneamino]urea
CID 44352088
[(Z)-1-[2-(4-chlorophenoxy)phenyl]propylideneamino]urea
CID 44352100

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]carbamate?
The IUPAC name of ethyl N-[1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]carbamate (CID 4101468) is ethyl N-[1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]carbamate.
What is the SMILES notation for ethyl N-[1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]carbamate?
The canonical SMILES for ethyl N-[1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]carbamate is CCOC(=O)NN=C(C)c1ccc(OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of ethyl N-[1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]carbamate?
The InChIKey is GWWKUBBKFVUMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-3-23-18(22)21-20-13(2)15-6-10-17(11-7-15)24-12-14-4-8-16(19)9-5-14/h4-11H,3,12H2,1-2H3,(H,21,22).
What are the key properties of ethyl N-[1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]carbamate?
ethyl N-[1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]carbamate has a molecular weight of 346.81 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[4-[(4-chlorophenyl)methoxy]phenyl]ethylideneamino]carbamate is sourced from PubChem (CID 4101468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).