N-(4-bromophenyl)-N'-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]butanediamide

C19H20BrN3O4 — CID 5016770

IUPACN-(4-bromophenyl)-N'-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]butanediamide
SMILESCCOc1ccc(C=NNC(=O)CCC(=O)Nc2ccc(Br)cc2)cc1O
InChIInChI=1S/C19H20BrN3O4/c1-2-27-17-8-3-13(11-16(17)24)12-21-23-19(26)10-9-18(25)22-15-6-4-14(20)5-7-15/h3-8,11-12,24H,2,9-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyXJELMRMJPABVFF-UHFFFAOYSA-N
MW434.29 g/mol
LogP3.42
Rot. Bonds8

About N-(4-bromophenyl)-N'-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]butanediamide

N-(4-bromophenyl)-N'-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]butanediamide (PubChem CID 5016770) has the molecular formula C19H20BrN3O4 and a molecular weight of 434.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]butanediamide
PubChem CID5016770
Molecular FormulaC19H20BrN3O4
Molecular Weight434.29 g/mol
Exact Mass433.06
IUPAC NameN-(4-bromophenyl)-N'-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]butanediamide
SMILESCCOc1ccc(C=NNC(=O)CCC(=O)Nc2ccc(Br)cc2)cc1O
InChIInChI=1S/C19H20BrN3O4/c1-2-27-17-8-3-13(11-16(17)24)12-21-23-19(26)10-9-18(25)22-15-6-4-14(20)5-7-15/h3-8,11-12,24H,2,9-10H2,1H3,(H,22,25)(H,23,26)
InChIKeyXJELMRMJPABVFF-UHFFFAOYSA-N
XLogP3.42
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.29
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide
CID 135884833
N'-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide
CID 4557774
N'-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-N-(4-bromophenyl)pentanediamide
CID 135906534
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)butanediamide
CID 5117304
N-(4-ethoxyphenyl)-N'-[(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]butanediamide
CID 4272278
N'-[(4-butoxy-3-ethoxyphenyl)methylideneamino]-N-(4-methylphenyl)butanediamide
CID 3961761
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 6018005
N-(4-bromophenyl)-N'-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]butanediamide
CID 6144716
N'-[(4-butoxy-3-ethoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)butanediamide
CID 4540301
methyl 2-[4-[[(4-anilino-4-oxobutanoyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetate
CID 3460945
N'-[[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(2,5-dimethylphenyl)butanediamide
CID 4006167
N'-[[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-N-(2-methylphenyl)butanediamide
CID 3656589

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N'-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N-(4-bromophenyl)-N'-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]butanediamide (CID 5016770) is N-(4-bromophenyl)-N'-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(4-bromophenyl)-N'-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(4-bromophenyl)-N'-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]butanediamide is CCOc1ccc(C=NNC(=O)CCC(=O)Nc2ccc(Br)cc2)cc1O.
What is the InChIKey of N-(4-bromophenyl)-N'-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]butanediamide?
The InChIKey is XJELMRMJPABVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O4/c1-2-27-17-8-3-13(11-16(17)24)12-21-23-19(26)10-9-18(25)22-15-6-4-14(20)5-7-15/h3-8,11-12,24H,2,9-10H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-bromophenyl)-N'-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]butanediamide?
N-(4-bromophenyl)-N'-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]butanediamide has a molecular weight of 434.29 g/mol, XLogP of 3.42, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N'-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 5016770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).