N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide

C13H15BrN4O4 — CID 8990212

IUPACN'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide
SMILESCCNC(=O)C(=O)N/N=C\c1cc(Br)ccc1OCC(N)=O
InChIInChI=1S/C13H15BrN4O4/c1-2-16-12(20)13(21)18-17-6-8-5-9(14)3-4-10(8)22-7-11(15)19/h3-6H,2,7H2,1H3,(H2,15,19)(H,16,20)(H,18,21)/b17-6-
InChIKeyMSXPZDWBNBMXBD-FMQZQXMHSA-N
MW371.19 g/mol
LogP-0.10
Rot. Bonds6

About N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide

N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide (PubChem CID 8990212) has the molecular formula C13H15BrN4O4 and a molecular weight of 371.19 g/mol. Its IUPAC name is N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide.

Molecular Properties

Compound NameN'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide
PubChem CID8990212
Molecular FormulaC13H15BrN4O4
Molecular Weight371.19 g/mol
Exact Mass370.03
IUPAC NameN'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide
SMILESCCNC(=O)C(=O)N/N=C\c1cc(Br)ccc1OCC(N)=O
InChIInChI=1S/C13H15BrN4O4/c1-2-16-12(20)13(21)18-17-6-8-5-9(14)3-4-10(8)22-7-11(15)19/h3-6H,2,7H2,1H3,(H2,15,19)(H,16,20)(H,18,21)/b17-6-
InChIKeyMSXPZDWBNBMXBD-FMQZQXMHSA-N
XLogP-0.10
TPSA122.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-[(2R)-butan-2-yl]oxamide
CID 8990216
N'-[(Z)-[2-(2-anilino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide
CID 126181829
2-[4-bromo-2-[(Z)-[[2-(methylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989696
N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8988871
2-[4-bromo-2-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetic acid
CID 19617744
N'-[(Z)-[2-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-ethyloxamide
CID 126158974
[(5-bromo-2-butoxyphenyl)methylideneamino]urea
CID 57360203
N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-bromophenyl]methylideneamino]-N-(2-methoxyethyl)oxamide
CID 8990255
N-benzyl-N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]oxamide
CID 8988880
2-[4-bromo-2-[(carbamothioylhydrazinylidene)methyl]phenoxy]acetic acid
CID 57368044
N'-[(Z)-(5-bromo-2-ethoxyphenyl)methylideneamino]-N-(2-phenylethyl)oxamide
CID 8931387
N'-[(Z)-[5-bromo-2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
CID 126169911

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide?
The IUPAC name of N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide (CID 8990212) is N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide.
What is the SMILES notation for N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide?
The canonical SMILES for N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide is CCNC(=O)C(=O)N/N=C\c1cc(Br)ccc1OCC(N)=O.
What is the InChIKey of N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide?
The InChIKey is MSXPZDWBNBMXBD-FMQZQXMHSA-N. The full InChI is InChI=1S/C13H15BrN4O4/c1-2-16-12(20)13(21)18-17-6-8-5-9(14)3-4-10(8)22-7-11(15)19/h3-6H,2,7H2,1H3,(H2,15,19)(H,16,20)(H,18,21)/b17-6-.
What are the key properties of N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide?
N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide has a molecular weight of 371.19 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide is sourced from PubChem (CID 8990212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).