2-(3-bromophenoxy)-N-(cyclododecylideneamino)acetamide

C20H29BrN2O2 — CID 4598925

IUPAC2-(3-bromophenoxy)-N-(cyclododecylideneamino)acetamide
SMILESO=C(COc1cccc(Br)c1)NN=C1CCCCCCCCCCC1
InChIInChI=1S/C20H29BrN2O2/c21-17-11-10-14-19(15-17)25-16-20(24)23-22-18-12-8-6-4-2-1-3-5-7-9-13-18/h10-11,14-15H,1-9,12-13,16H2,(H,23,24)
InChIKeyVMZDZMWZKXXNNI-UHFFFAOYSA-N
MW409.37 g/mol
LogP5.60
Rot. Bonds4

About 2-(3-bromophenoxy)-N-(cyclododecylideneamino)acetamide

2-(3-bromophenoxy)-N-(cyclododecylideneamino)acetamide (PubChem CID 4598925) has the molecular formula C20H29BrN2O2 and a molecular weight of 409.37 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(cyclododecylideneamino)acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(cyclododecylideneamino)acetamide
PubChem CID4598925
Molecular FormulaC20H29BrN2O2
Molecular Weight409.37 g/mol
Exact Mass408.14
IUPAC Name2-(3-bromophenoxy)-N-(cyclododecylideneamino)acetamide
SMILESO=C(COc1cccc(Br)c1)NN=C1CCCCCCCCCCC1
InChIInChI=1S/C20H29BrN2O2/c21-17-11-10-14-19(15-17)25-16-20(24)23-22-18-12-8-6-4-2-1-3-5-7-9-13-18/h10-11,14-15H,1-9,12-13,16H2,(H,23,24)
InChIKeyVMZDZMWZKXXNNI-UHFFFAOYSA-N
XLogP5.60
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.37
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(cyclooctylideneamino)-2-naphthalen-2-yloxyacetamide
CID 4674505
N-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide
CID 54786886
N-(cycloheptylideneamino)-2-(3,5-dimethylphenoxy)acetamide
CID 3379607
N-(cycloheptylideneamino)-2-(4-methoxyphenoxy)acetamide
CID 5091509
2-(3-bromophenoxy)-N-[(Z)-cyclohexylmethylideneamino]acetamide
CID 7788343
N-(cyclopentylideneamino)-2-(4-phenylphenoxy)acetamide
CID 4562068
N-(cyclohexylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
CID 29154497
2-(4-butoxyphenoxy)-N-(cyclohexylideneamino)acetamide
CID 4193527
N-(cyclooctylideneamino)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 54786862
2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 1124773
2-(3-bromophenoxy)-N-methoxyacetamide
CID 60700558
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(3-bromophenoxy)acetamide
CID 135419615

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(cyclododecylideneamino)acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(cyclododecylideneamino)acetamide (CID 4598925) is 2-(3-bromophenoxy)-N-(cyclododecylideneamino)acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(cyclododecylideneamino)acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(cyclododecylideneamino)acetamide is O=C(COc1cccc(Br)c1)NN=C1CCCCCCCCCCC1.
What is the InChIKey of 2-(3-bromophenoxy)-N-(cyclododecylideneamino)acetamide?
The InChIKey is VMZDZMWZKXXNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29BrN2O2/c21-17-11-10-14-19(15-17)25-16-20(24)23-22-18-12-8-6-4-2-1-3-5-7-9-13-18/h10-11,14-15H,1-9,12-13,16H2,(H,23,24).
What are the key properties of 2-(3-bromophenoxy)-N-(cyclododecylideneamino)acetamide?
2-(3-bromophenoxy)-N-(cyclododecylideneamino)acetamide has a molecular weight of 409.37 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(cyclododecylideneamino)acetamide is sourced from PubChem (CID 4598925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).