N-[3-bromo-2-(methoxymethyl)phenyl]-2-(ethylamino)-2-methylpropanamide

C14H21BrN2O2 — CID 62836118

IUPACN-[3-bromo-2-(methoxymethyl)phenyl]-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)Nc1cccc(Br)c1COC
InChIInChI=1S/C14H21BrN2O2/c1-5-16-14(2,3)13(18)17-12-8-6-7-11(15)10(12)9-19-4/h6-8,16H,5,9H2,1-4H3,(H,17,18)
InChIKeyQWBRFDSBUNSNQS-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.92
Rot. Bonds6

About N-[3-bromo-2-(methoxymethyl)phenyl]-2-(ethylamino)-2-methylpropanamide

N-[3-bromo-2-(methoxymethyl)phenyl]-2-(ethylamino)-2-methylpropanamide (PubChem CID 62836118) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is N-[3-bromo-2-(methoxymethyl)phenyl]-2-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-bromo-2-(methoxymethyl)phenyl]-2-(ethylamino)-2-methylpropanamide
PubChem CID62836118
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC NameN-[3-bromo-2-(methoxymethyl)phenyl]-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)Nc1cccc(Br)c1COC
InChIInChI=1S/C14H21BrN2O2/c1-5-16-14(2,3)13(18)17-12-8-6-7-11(15)10(12)9-19-4/h6-8,16H,5,9H2,1-4H3,(H,17,18)
InChIKeyQWBRFDSBUNSNQS-UHFFFAOYSA-N
XLogP2.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-bromo-2-(methoxymethyl)phenyl]-2,2,2-trifluoroacetamide
CID 63374766
N-[3-bromo-2-(methoxymethyl)phenyl]-3-oxobutanamide
CID 61215647
2-[3-bromo-2-(methoxymethyl)anilino]-N-ethylacetamide
CID 61166790
2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-3-methoxypropanamide
CID 81089050
N-[3-bromo-2-(methoxymethyl)phenyl]-4-iodobenzamide
CID 61400591
2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]butanediamide
CID 61167372
(2R)-2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methylpentanamide
CID 104903215
2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxybutanamide
CID 62473419
N-[3-bromo-2-(methoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 60616505
N-[3-bromo-2-(methoxymethyl)phenyl]-N'-tert-butylethane-1,2-diamine
CID 107445429
methyl 2-[3-bromo-2-(methoxymethyl)anilino]butanoate
CID 113292588
N-(4-bromo-3-methoxyphenyl)-2-(ethylamino)-2-methylpropanamide
CID 82868301

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-2-(methoxymethyl)phenyl]-2-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-[3-bromo-2-(methoxymethyl)phenyl]-2-(ethylamino)-2-methylpropanamide (CID 62836118) is N-[3-bromo-2-(methoxymethyl)phenyl]-2-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-[3-bromo-2-(methoxymethyl)phenyl]-2-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-[3-bromo-2-(methoxymethyl)phenyl]-2-(ethylamino)-2-methylpropanamide is CCNC(C)(C)C(=O)Nc1cccc(Br)c1COC.
What is the InChIKey of N-[3-bromo-2-(methoxymethyl)phenyl]-2-(ethylamino)-2-methylpropanamide?
The InChIKey is QWBRFDSBUNSNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-5-16-14(2,3)13(18)17-12-8-6-7-11(15)10(12)9-19-4/h6-8,16H,5,9H2,1-4H3,(H,17,18).
What are the key properties of N-[3-bromo-2-(methoxymethyl)phenyl]-2-(ethylamino)-2-methylpropanamide?
N-[3-bromo-2-(methoxymethyl)phenyl]-2-(ethylamino)-2-methylpropanamide has a molecular weight of 329.24 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-2-(methoxymethyl)phenyl]-2-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 62836118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).