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

C30H29BrN2O3 — CID 3249643

IUPACN-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-butylphenoxy)acetamide
SMILESCCCCc1ccc(OCC(=O)NN=Cc2c(OCc3cccc(Br)c3)ccc3ccccc23)cc1
InChIInChI=1S/C30H29BrN2O3/c1-2-3-7-22-12-15-26(16-13-22)35-21-30(34)33-32-19-28-27-11-5-4-9-24(27)14-17-29(28)36-20-23-8-6-10-25(31)18-23/h4-6,8-19H,2-3,7,20-21H2,1H3,(H,33,34)
InChIKeyOOQXBBREJNYRNL-UHFFFAOYSA-N
MW545.48 g/mol
LogP7.05
Rot. Bonds11

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

N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-butylphenoxy)acetamide (PubChem CID 3249643) has the molecular formula C30H29BrN2O3 and a molecular weight of 545.48 g/mol. Its IUPAC name is N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-butylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-butylphenoxy)acetamide
PubChem CID3249643
Molecular FormulaC30H29BrN2O3
Molecular Weight545.48 g/mol
Exact Mass544.14
IUPAC NameN-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-butylphenoxy)acetamide
SMILESCCCCc1ccc(OCC(=O)NN=Cc2c(OCc3cccc(Br)c3)ccc3ccccc23)cc1
InChIInChI=1S/C30H29BrN2O3/c1-2-3-7-22-12-15-26(16-13-22)35-21-30(34)33-32-19-28-27-11-5-4-9-24(27)14-17-29(28)36-20-23-8-6-10-25(31)18-23/h4-6,8-19H,2-3,7,20-21H2,1H3,(H,33,34)
InChIKeyOOQXBBREJNYRNL-UHFFFAOYSA-N
XLogP7.05
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.48
LogP ≤ 57.05
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-[(E)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-propylphenoxy)acetamide
CID 6871189
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-butoxyphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 4601287
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(4-pentylphenoxy)acetamide
CID 5375690
N-(anthracen-9-ylmethylideneamino)-2-(4-pentylphenoxy)acetamide
CID 609044
2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 19190726
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

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-butylphenoxy)acetamide?
The IUPAC name of N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-butylphenoxy)acetamide (CID 3249643) is N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-butylphenoxy)acetamide.
What is the SMILES notation for N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-butylphenoxy)acetamide?
The canonical SMILES for N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-butylphenoxy)acetamide is CCCCc1ccc(OCC(=O)NN=Cc2c(OCc3cccc(Br)c3)ccc3ccccc23)cc1.
What is the InChIKey of N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-butylphenoxy)acetamide?
The InChIKey is OOQXBBREJNYRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29BrN2O3/c1-2-3-7-22-12-15-26(16-13-22)35-21-30(34)33-32-19-28-27-11-5-4-9-24(27)14-17-29(28)36-20-23-8-6-10-25(31)18-23/h4-6,8-19H,2-3,7,20-21H2,1H3,(H,33,34).
What are the key properties of N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-butylphenoxy)acetamide?
N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-butylphenoxy)acetamide has a molecular weight of 545.48 g/mol, XLogP of 7.05, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-butylphenoxy)acetamide is sourced from PubChem (CID 3249643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).