N-(4-bromo-3-methoxyphenyl)-2-(ethylamino)-2-methylpropanamide

C13H19BrN2O2 — CID 82868301

IUPACN-(4-bromo-3-methoxyphenyl)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)Nc1ccc(Br)c(OC)c1
InChIInChI=1S/C13H19BrN2O2/c1-5-15-13(2,3)12(17)16-9-6-7-10(14)11(8-9)18-4/h6-8,15H,5H2,1-4H3,(H,16,17)
InChIKeyQOIBOBMLENTKCL-UHFFFAOYSA-N
MW315.21 g/mol
LogP2.78
Rot. Bonds5

About N-(4-bromo-3-methoxyphenyl)-2-(ethylamino)-2-methylpropanamide

N-(4-bromo-3-methoxyphenyl)-2-(ethylamino)-2-methylpropanamide (PubChem CID 82868301) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is N-(4-bromo-3-methoxyphenyl)-2-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-3-methoxyphenyl)-2-(ethylamino)-2-methylpropanamide
PubChem CID82868301
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC NameN-(4-bromo-3-methoxyphenyl)-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(C)C(=O)Nc1ccc(Br)c(OC)c1
InChIInChI=1S/C13H19BrN2O2/c1-5-15-13(2,3)12(17)16-9-6-7-10(14)11(8-9)18-4/h6-8,15H,5H2,1-4H3,(H,16,17)
InChIKeyQOIBOBMLENTKCL-UHFFFAOYSA-N
XLogP2.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(4-bromo-3-methoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119724763
N-(4-bromo-3-methoxyphenyl)-2-carbamothioyl-2-methylbutanamide
CID 82867900
N-(4-bromo-3-methoxyphenyl)-3-(tert-butylamino)propanamide
CID 82867959
N-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide
CID 79421127
3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 107980534
2-(ethylamino)-N-(4-ethyl-3-methylphenyl)-2-methylpropanamide
CID 114250279
1-(4-bromo-3-methoxyphenyl)-3-ethylthiourea
CID 115672650
2-(ethylamino)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylpropanamide
CID 62833409
4-(4-bromo-3-methoxyanilino)-2,2-diethyl-4-oxobutanoic acid
CID 79451102
2-(4-bromo-3-methoxyanilino)acetic acid
CID 82868181
chloromethyl N-(4-bromo-3-methoxyphenyl)carbamate
CID 164652567
2-amino-N-(4-bromo-3-methoxyphenyl)hexanamide
CID 115443247

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methoxyphenyl)-2-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-(4-bromo-3-methoxyphenyl)-2-(ethylamino)-2-methylpropanamide (CID 82868301) is N-(4-bromo-3-methoxyphenyl)-2-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-(4-bromo-3-methoxyphenyl)-2-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-(4-bromo-3-methoxyphenyl)-2-(ethylamino)-2-methylpropanamide is CCNC(C)(C)C(=O)Nc1ccc(Br)c(OC)c1.
What is the InChIKey of N-(4-bromo-3-methoxyphenyl)-2-(ethylamino)-2-methylpropanamide?
The InChIKey is QOIBOBMLENTKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-5-15-13(2,3)12(17)16-9-6-7-10(14)11(8-9)18-4/h6-8,15H,5H2,1-4H3,(H,16,17).
What are the key properties of N-(4-bromo-3-methoxyphenyl)-2-(ethylamino)-2-methylpropanamide?
N-(4-bromo-3-methoxyphenyl)-2-(ethylamino)-2-methylpropanamide has a molecular weight of 315.21 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methoxyphenyl)-2-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 82868301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).