2-(2-bromo-4-propylphenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide

C27H29BrN2O4 — CID 19208463

IUPAC2-(2-bromo-4-propylphenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
SMILESCCCc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3C)c(OC)c2)c(Br)c1
InChIInChI=1S/C27H29BrN2O4/c1-4-7-20-10-12-24(23(28)14-20)34-18-27(31)30-29-16-21-11-13-25(26(15-21)32-3)33-17-22-9-6-5-8-19(22)2/h5-6,8-16H,4,7,17-18H2,1-3H3,(H,30,31)/b29-16+
InChIKeyGILAJGUUTISJKG-MUFRIFMGSA-N
MW525.44 g/mol
LogP5.83
Rot. Bonds11

About 2-(2-bromo-4-propylphenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide

2-(2-bromo-4-propylphenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide (PubChem CID 19208463) has the molecular formula C27H29BrN2O4 and a molecular weight of 525.44 g/mol. Its IUPAC name is 2-(2-bromo-4-propylphenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-propylphenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
PubChem CID19208463
Molecular FormulaC27H29BrN2O4
Molecular Weight525.44 g/mol
Exact Mass524.13
IUPAC Name2-(2-bromo-4-propylphenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
SMILESCCCc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3C)c(OC)c2)c(Br)c1
InChIInChI=1S/C27H29BrN2O4/c1-4-7-20-10-12-24(23(28)14-20)34-18-27(31)30-29-16-21-11-13-25(26(15-21)32-3)33-17-22-9-6-5-8-19(22)2/h5-6,8-16H,4,7,17-18H2,1-3H3,(H,30,31)/b29-16+
InChIKeyGILAJGUUTISJKG-MUFRIFMGSA-N
XLogP5.83
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.44
LogP ≤ 55.83
H-Bond Donors ≤ 51
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

2-(2-ethylphenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19183036
N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 19190352
2-(3-chlorophenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19190363
2-(2-bromophenoxy)-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]acetamide
CID 19189983
4-(2-bromo-4-ethylphenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]butanamide
CID 19208235
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 19189977
2-(2,4-dibromophenoxy)-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]acetamide
CID 19189995
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 19165701
2-(2-bromo-4-methylphenoxy)-N-[(E)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 19190410
2-(4-bromo-2-ethylphenoxy)-N-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 19208369
2-(4-bromophenoxy)-N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 19169684
2-(2-ethoxyphenoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3959802

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-propylphenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(2-bromo-4-propylphenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide (CID 19208463) is 2-(2-bromo-4-propylphenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(2-bromo-4-propylphenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(2-bromo-4-propylphenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide is CCCc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3C)c(OC)c2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-propylphenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide?
The InChIKey is GILAJGUUTISJKG-MUFRIFMGSA-N. The full InChI is InChI=1S/C27H29BrN2O4/c1-4-7-20-10-12-24(23(28)14-20)34-18-27(31)30-29-16-21-11-13-25(26(15-21)32-3)33-17-22-9-6-5-8-19(22)2/h5-6,8-16H,4,7,17-18H2,1-3H3,(H,30,31)/b29-16+.
What are the key properties of 2-(2-bromo-4-propylphenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide?
2-(2-bromo-4-propylphenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide has a molecular weight of 525.44 g/mol, XLogP of 5.83, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-propylphenoxy)-N-[(E)-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 19208463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).