methyl N-[2-[[(E)-1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-ethylcarbamate

C19H21BrN2O3 — CID 20667514

IUPACmethyl N-[2-[[(E)-1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-ethylcarbamate
SMILESCCN(C(=O)OC)c1ccccc1CO/N=C(\C)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O3/c1-4-22(19(23)24-3)18-8-6-5-7-16(18)13-25-21-14(2)15-9-11-17(20)12-10-15/h5-12H,4,13H2,1-3H3/b21-14+
InChIKeyHRJVHNSCQQSEAQ-KGENOOAVSA-N
MW405.29 g/mol
LogP4.98
Rot. Bonds6

About methyl N-[2-[[(E)-1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-ethylcarbamate

methyl N-[2-[[(E)-1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-ethylcarbamate (PubChem CID 20667514) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is methyl N-[2-[[(E)-1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-ethylcarbamate.

Molecular Properties

Compound Namemethyl N-[2-[[(E)-1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-ethylcarbamate
PubChem CID20667514
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Namemethyl N-[2-[[(E)-1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-ethylcarbamate
SMILESCCN(C(=O)OC)c1ccccc1CO/N=C(\C)c1ccc(Br)cc1
InChIInChI=1S/C19H21BrN2O3/c1-4-22(19(23)24-3)18-8-6-5-7-16(18)13-25-21-14(2)15-9-11-17(20)12-10-15/h5-12H,4,13H2,1-3H3/b21-14+
InChIKeyHRJVHNSCQQSEAQ-KGENOOAVSA-N
XLogP4.98
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 54.98
H-Bond Donors ≤ 50
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

methyl N-[2-[[1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbonylcarbamate
CID 54110696
methyl N-ethyl-N-[2-[(3-oxobutan-2-ylideneamino)oxymethyl]phenyl]carbamate
CID 72640017
methyl N-[2-[[(E)-1-(3-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-prop-2-ynylcarbamate
CID 20667507
methyl N-methoxy-N-[2-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate
CID 20667655
methyl N-methoxycarbonyl-N-[2-[[(E)-1-(3-methylphenyl)ethylideneamino]oxymethyl]phenyl]carbamate
CID 20667648
methyl N-[2-[[(E)-[(3E)-3-methoxyiminobutan-2-ylidene]amino]oxymethyl]phenyl]-N-(methoxymethyl)carbamate
CID 57427966
methyl N-[2-[[1-(3,5-dichlorophenyl)ethylideneamino]oxymethyl]phenyl]-N-methoxycarbamate
CID 54149185
sodium;bromoethane;hydride;methyl N-ethyl-N-[2-[[(E)-[(1E)-1-(4-fluorophenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]carbamate;methyl N-[2-[[(E)-[(1E)-1-(4-fluorophenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]carbamate
CID 172957427
(E)-1-(4-bromophenyl)-N-phenylmethoxyethanimine
CID 71724198
1-(4-bromophenyl)-N-[[1-(4-bromophenyl)ethylideneamino]oxymethoxy]ethanimine
CID 2826848
methyl N-[2-[(2-chlorophenoxy)methyl]phenyl]-N-ethylcarbamate
CID 20667562
methyl N-methyl-N-[2-methyl-6-[[(E)-1-phenylethylideneamino]oxymethyl]phenyl]carbamate
CID 20667670

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[(E)-1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-ethylcarbamate?
The IUPAC name of methyl N-[2-[[(E)-1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-ethylcarbamate (CID 20667514) is methyl N-[2-[[(E)-1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-ethylcarbamate.
What is the SMILES notation for methyl N-[2-[[(E)-1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-ethylcarbamate?
The canonical SMILES for methyl N-[2-[[(E)-1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-ethylcarbamate is CCN(C(=O)OC)c1ccccc1CO/N=C(\C)c1ccc(Br)cc1.
What is the InChIKey of methyl N-[2-[[(E)-1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-ethylcarbamate?
The InChIKey is HRJVHNSCQQSEAQ-KGENOOAVSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-4-22(19(23)24-3)18-8-6-5-7-16(18)13-25-21-14(2)15-9-11-17(20)12-10-15/h5-12H,4,13H2,1-3H3/b21-14+.
What are the key properties of methyl N-[2-[[(E)-1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-ethylcarbamate?
methyl N-[2-[[(E)-1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-ethylcarbamate has a molecular weight of 405.29 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[(E)-1-(4-bromophenyl)ethylideneamino]oxymethyl]phenyl]-N-ethylcarbamate is sourced from PubChem (CID 20667514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).