N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide

C15H18BrN3O3 — CID 8988871

IUPACN'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)N/N=C\c1cc(Br)ccc1OCCC
InChIInChI=1S/C15H18BrN3O3/c1-3-7-17-14(20)15(21)19-18-10-11-9-12(16)5-6-13(11)22-8-4-2/h3,5-6,9-10H,1,4,7-8H2,2H3,(H,17,20)(H,19,21)/b18-10-
InChIKeyUGIMKNXFRGJJIH-ZDLGFXPLSA-N
MW368.23 g/mol
LogP1.99
Rot. Bonds7

About N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide

N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide (PubChem CID 8988871) has the molecular formula C15H18BrN3O3 and a molecular weight of 368.23 g/mol. Its IUPAC name is N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
PubChem CID8988871
Molecular FormulaC15H18BrN3O3
Molecular Weight368.23 g/mol
Exact Mass367.05
IUPAC NameN'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)N/N=C\c1cc(Br)ccc1OCCC
InChIInChI=1S/C15H18BrN3O3/c1-3-7-17-14(20)15(21)19-18-10-11-9-12(16)5-6-13(11)22-8-4-2/h3,5-6,9-10H,1,4,7-8H2,2H3,(H,17,20)(H,19,21)/b18-10-
InChIKeyUGIMKNXFRGJJIH-ZDLGFXPLSA-N
XLogP1.99
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[(Z)-[5-bromo-2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-prop-2-enyloxamide
CID 126169911
N-benzyl-N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]oxamide
CID 8988880
N'-[(E)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 51061179
N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 8988884
N'-[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8988943
N,N'-bis[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]heptanediamide
CID 6021856
N,N'-bis[(5-bromo-2-propoxyphenyl)methylideneamino]heptanediamide
CID 4149823
ethyl N-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]carbamate
CID 9076112
N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-(3-methylphenyl)oxamide
CID 8988874
N'-[(5-bromo-2-prop-2-enoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4092508
N'-[(Z)-[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylideneamino]-N-ethyloxamide
CID 8990212
N'-[(Z)-(2-ethoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 8931109

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide?
The IUPAC name of N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide (CID 8988871) is N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)N/N=C\c1cc(Br)ccc1OCCC.
What is the InChIKey of N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide?
The InChIKey is UGIMKNXFRGJJIH-ZDLGFXPLSA-N. The full InChI is InChI=1S/C15H18BrN3O3/c1-3-7-17-14(20)15(21)19-18-10-11-9-12(16)5-6-13(11)22-8-4-2/h3,5-6,9-10H,1,4,7-8H2,2H3,(H,17,20)(H,19,21)/b18-10-.
What are the key properties of N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide?
N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide has a molecular weight of 368.23 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(5-bromo-2-propoxyphenyl)methylideneamino]-N-prop-2-enyloxamide is sourced from PubChem (CID 8988871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).