4-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopent-2-ene-1-carboxamide

C15H19BrN2O2 — CID 79210396

IUPAC4-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopent-2-ene-1-carboxamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)C1C=CC(N)C1
InChIInChI=1S/C15H19BrN2O2/c1-18(15(19)11-2-5-13(17)10-11)8-9-20-14-6-3-12(16)4-7-14/h2-7,11,13H,8-10,17H2,1H3
InChIKeyHJBWDKAMDQMWQY-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.19
Rot. Bonds5

About 4-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopent-2-ene-1-carboxamide

4-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopent-2-ene-1-carboxamide (PubChem CID 79210396) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 4-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopent-2-ene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopent-2-ene-1-carboxamide
PubChem CID79210396
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name4-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopent-2-ene-1-carboxamide
SMILESCN(CCOc1ccc(Br)cc1)C(=O)C1C=CC(N)C1
InChIInChI=1S/C15H19BrN2O2/c1-18(15(19)11-2-5-13(17)10-11)8-9-20-14-6-3-12(16)4-7-14/h2-7,11,13H,8-10,17H2,1H3
InChIKeyHJBWDKAMDQMWQY-UHFFFAOYSA-N
XLogP2.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
CID 60629010
4-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]cyclopent-2-ene-1-carboxamide
CID 79210479
9-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983601
2-[2-(4-bromophenoxy)ethyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60952814
2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 64823580
4-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopent-2-ene-1-carboxamide
CID 79209286
2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide
CID 61266801
1-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 60937922
4-amino-N-ethyl-N-methylcyclopent-2-ene-1-carboxamide
CID 79211003
(2S)-N-[2-(4-bromophenoxy)ethyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119684300
N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide
CID 60629006
2-(4-aminophenoxy)ethyl-methylcarbamic acid
CID 67422693

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopent-2-ene-1-carboxamide?
The IUPAC name of 4-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopent-2-ene-1-carboxamide (CID 79210396) is 4-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopent-2-ene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopent-2-ene-1-carboxamide?
The canonical SMILES for 4-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopent-2-ene-1-carboxamide is CN(CCOc1ccc(Br)cc1)C(=O)C1C=CC(N)C1.
What is the InChIKey of 4-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopent-2-ene-1-carboxamide?
The InChIKey is HJBWDKAMDQMWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-18(15(19)11-2-5-13(17)10-11)8-9-20-14-6-3-12(16)4-7-14/h2-7,11,13H,8-10,17H2,1H3.
What are the key properties of 4-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopent-2-ene-1-carboxamide?
4-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopent-2-ene-1-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopent-2-ene-1-carboxamide is sourced from PubChem (CID 79210396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).