N-[2-(N-acetyl-4-bromo-2-methylanilino)ethyl]-2-ethylbutanamide

C17H25BrN2O2 — CID 113062870

IUPACN-[2-(N-acetyl-4-bromo-2-methylanilino)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCN(C(C)=O)c1ccc(Br)cc1C
InChIInChI=1S/C17H25BrN2O2/c1-5-14(6-2)17(22)19-9-10-20(13(4)21)16-8-7-15(18)11-12(16)3/h7-8,11,14H,5-6,9-10H2,1-4H3,(H,19,22)
InChIKeyULFNGNZUVCHZIM-UHFFFAOYSA-N
MW369.30 g/mol
LogP3.66
Rot. Bonds7

About N-[2-(N-acetyl-4-bromo-2-methylanilino)ethyl]-2-ethylbutanamide

N-[2-(N-acetyl-4-bromo-2-methylanilino)ethyl]-2-ethylbutanamide (PubChem CID 113062870) has the molecular formula C17H25BrN2O2 and a molecular weight of 369.30 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-bromo-2-methylanilino)ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-bromo-2-methylanilino)ethyl]-2-ethylbutanamide
PubChem CID113062870
Molecular FormulaC17H25BrN2O2
Molecular Weight369.30 g/mol
Exact Mass368.11
IUPAC NameN-[2-(N-acetyl-4-bromo-2-methylanilino)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCN(C(C)=O)c1ccc(Br)cc1C
InChIInChI=1S/C17H25BrN2O2/c1-5-14(6-2)17(22)19-9-10-20(13(4)21)16-8-7-15(18)11-12(16)3/h7-8,11,14H,5-6,9-10H2,1-4H3,(H,19,22)
InChIKeyULFNGNZUVCHZIM-UHFFFAOYSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113062891
3-(N-acetyl-4-bromo-2-methylanilino)-N-butylpropanamide
CID 113132728
3-(N-acetyl-4-bromo-2-methylanilino)-N-(3-methoxypropyl)propanamide
CID 113132737
N-[2-(N-acetylanilino)ethyl]-2-ethylbutanamide
CID 113057161
3-(N-acetyl-4-bromo-2-methylanilino)-N-prop-2-enylpropanamide
CID 113132727
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-ethylbutanamide
CID 113058866
3-(N-acetyl-4-bromo-2-methylanilino)-N-(4-methylphenyl)propanamide
CID 113132763
N-[2-[N-acetyl-2-chloro-5-(trifluoromethyl)anilino]ethyl]-2-ethylbutanamide
CID 113062130
2-(N-acetyl-4-bromo-2-methylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113178111
2-(N-acetyl-4-bromo-2-methylanilino)-N-(2-ethylphenyl)acetamide
CID 113178115
2-(N-acetyl-4-bromo-2-methylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 113178082
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-ethylbutanamide
CID 113054219

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-bromo-2-methylanilino)ethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-(N-acetyl-4-bromo-2-methylanilino)ethyl]-2-ethylbutanamide (CID 113062870) is N-[2-(N-acetyl-4-bromo-2-methylanilino)ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-(N-acetyl-4-bromo-2-methylanilino)ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-(N-acetyl-4-bromo-2-methylanilino)ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCCN(C(C)=O)c1ccc(Br)cc1C.
What is the InChIKey of N-[2-(N-acetyl-4-bromo-2-methylanilino)ethyl]-2-ethylbutanamide?
The InChIKey is ULFNGNZUVCHZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O2/c1-5-14(6-2)17(22)19-9-10-20(13(4)21)16-8-7-15(18)11-12(16)3/h7-8,11,14H,5-6,9-10H2,1-4H3,(H,19,22).
What are the key properties of N-[2-(N-acetyl-4-bromo-2-methylanilino)ethyl]-2-ethylbutanamide?
N-[2-(N-acetyl-4-bromo-2-methylanilino)ethyl]-2-ethylbutanamide has a molecular weight of 369.30 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-bromo-2-methylanilino)ethyl]-2-ethylbutanamide is sourced from PubChem (CID 113062870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).