N-[(E)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-propylphenoxy)acetamide

C29H27BrN2O3 — CID 6871189

IUPACN-[(E)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)N/N=C/c2c(OCc3cccc(Br)c3)ccc3ccccc23)cc1
InChIInChI=1S/C29H27BrN2O3/c1-2-6-21-11-14-25(15-12-21)34-20-29(33)32-31-18-27-26-10-4-3-8-23(26)13-16-28(27)35-19-22-7-5-9-24(30)17-22/h3-5,7-18H,2,6,19-20H2,1H3,(H,32,33)/b31-18+
InChIKeyCUSAFRVVAFAMTJ-FDAWAROLSA-N
MW531.45 g/mol
LogP6.66
Rot. Bonds10

About N-[(E)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-propylphenoxy)acetamide

N-[(E)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-propylphenoxy)acetamide (PubChem CID 6871189) has the molecular formula C29H27BrN2O3 and a molecular weight of 531.45 g/mol. Its IUPAC name is N-[(E)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-propylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-propylphenoxy)acetamide
PubChem CID6871189
Molecular FormulaC29H27BrN2O3
Molecular Weight531.45 g/mol
Exact Mass530.12
IUPAC NameN-[(E)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-propylphenoxy)acetamide
SMILESCCCc1ccc(OCC(=O)N/N=C/c2c(OCc3cccc(Br)c3)ccc3ccccc23)cc1
InChIInChI=1S/C29H27BrN2O3/c1-2-6-21-11-14-25(15-12-21)34-20-29(33)32-31-18-27-26-10-4-3-8-23(26)13-16-28(27)35-19-22-7-5-9-24(30)17-22/h3-5,7-18H,2,6,19-20H2,1H3,(H,32,33)/b31-18+
InChIKeyCUSAFRVVAFAMTJ-FDAWAROLSA-N
XLogP6.66
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.45
LogP ≤ 56.66
H-Bond Donors ≤ 51
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

N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-butylphenoxy)acetamide
CID 3249643
N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-fluorophenoxy)acetamide
CID 6106773
N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylacetamide
CID 85032915
2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 19190726
2-(4-butoxyphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 4601287
2-(4-ethylphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 5065891
N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 6111701
2-(benzenesulfonamido)-N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 4599921
2-(benzenesulfonamido)-N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 6160921
N'-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-N-(4-phenoxyphenyl)oxamide
CID 5195606
N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-chlorobenzamide
CID 4108079
2-(4-chlorophenoxy)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 6031148

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-propylphenoxy)acetamide?
The IUPAC name of N-[(E)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-propylphenoxy)acetamide (CID 6871189) is N-[(E)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-propylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-propylphenoxy)acetamide?
The canonical SMILES for N-[(E)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-propylphenoxy)acetamide is CCCc1ccc(OCC(=O)N/N=C/c2c(OCc3cccc(Br)c3)ccc3ccccc23)cc1.
What is the InChIKey of N-[(E)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-propylphenoxy)acetamide?
The InChIKey is CUSAFRVVAFAMTJ-FDAWAROLSA-N. The full InChI is InChI=1S/C29H27BrN2O3/c1-2-6-21-11-14-25(15-12-21)34-20-29(33)32-31-18-27-26-10-4-3-8-23(26)13-16-28(27)35-19-22-7-5-9-24(30)17-22/h3-5,7-18H,2,6,19-20H2,1H3,(H,32,33)/b31-18+.
What are the key properties of N-[(E)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-propylphenoxy)acetamide?
N-[(E)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-propylphenoxy)acetamide has a molecular weight of 531.45 g/mol, XLogP of 6.66, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-propylphenoxy)acetamide is sourced from PubChem (CID 6871189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).