N-(4-acetamidobutyl)-2-(4-bromophenyl)-3-methylbutanamide

C17H25BrN2O2 — CID 110356855

IUPACN-(4-acetamidobutyl)-2-(4-bromophenyl)-3-methylbutanamide
SMILESCC(=O)NCCCCNC(=O)C(c1ccc(Br)cc1)C(C)C
InChIInChI=1S/C17H25BrN2O2/c1-12(2)16(14-6-8-15(18)9-7-14)17(22)20-11-5-4-10-19-13(3)21/h6-9,12,16H,4-5,10-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyZYLZKPULVGBZBI-UHFFFAOYSA-N
MW369.30 g/mol
LogP3.22
Rot. Bonds8

About N-(4-acetamidobutyl)-2-(4-bromophenyl)-3-methylbutanamide

N-(4-acetamidobutyl)-2-(4-bromophenyl)-3-methylbutanamide (PubChem CID 110356855) has the molecular formula C17H25BrN2O2 and a molecular weight of 369.30 g/mol. Its IUPAC name is N-(4-acetamidobutyl)-2-(4-bromophenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-acetamidobutyl)-2-(4-bromophenyl)-3-methylbutanamide
PubChem CID110356855
Molecular FormulaC17H25BrN2O2
Molecular Weight369.30 g/mol
Exact Mass368.11
IUPAC NameN-(4-acetamidobutyl)-2-(4-bromophenyl)-3-methylbutanamide
SMILESCC(=O)NCCCCNC(=O)C(c1ccc(Br)cc1)C(C)C
InChIInChI=1S/C17H25BrN2O2/c1-12(2)16(14-6-8-15(18)9-7-14)17(22)20-11-5-4-10-19-13(3)21/h6-9,12,16H,4-5,10-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyZYLZKPULVGBZBI-UHFFFAOYSA-N
XLogP3.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]-3-methylbutanamide
CID 110316878
2-(4-bromophenyl)-3-methylbutanoyl chloride
CID 23465342
N-butyl-2-(4-fluorophenyl)-3-methylbutanamide
CID 110316809
N-(2-anilino-2-oxoethyl)-2-(4-bromophenyl)-3-methylbutanamide
CID 110313069
2-(4-bromophenyl)-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 110312773
(E)-N-(4-acetamidobutyl)-3-(4-bromophenyl)-4-methylpent-2-enamide
CID 110609771
N-[2-[(4-bromophenyl)methylamino]ethyl]acetamide
CID 28684406
2-(4-bromophenyl)-N-(2-cyanopropan-2-yl)-3-methylbutanamide
CID 110619409
N-butyl-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 110300926
2-(4-bromophenoxy)-N-[3-(methylamino)propyl]propanamide
CID 119433897
(2S)-2-(4-bromophenoxy)-N-butylpropanamide
CID 28826027
2-(4-methoxyphenyl)-3-methyl-N-(3-methylbutyl)butanamide
CID 110316942

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidobutyl)-2-(4-bromophenyl)-3-methylbutanamide?
The IUPAC name of N-(4-acetamidobutyl)-2-(4-bromophenyl)-3-methylbutanamide (CID 110356855) is N-(4-acetamidobutyl)-2-(4-bromophenyl)-3-methylbutanamide.
What is the SMILES notation for N-(4-acetamidobutyl)-2-(4-bromophenyl)-3-methylbutanamide?
The canonical SMILES for N-(4-acetamidobutyl)-2-(4-bromophenyl)-3-methylbutanamide is CC(=O)NCCCCNC(=O)C(c1ccc(Br)cc1)C(C)C.
What is the InChIKey of N-(4-acetamidobutyl)-2-(4-bromophenyl)-3-methylbutanamide?
The InChIKey is ZYLZKPULVGBZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O2/c1-12(2)16(14-6-8-15(18)9-7-14)17(22)20-11-5-4-10-19-13(3)21/h6-9,12,16H,4-5,10-11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-acetamidobutyl)-2-(4-bromophenyl)-3-methylbutanamide?
N-(4-acetamidobutyl)-2-(4-bromophenyl)-3-methylbutanamide has a molecular weight of 369.30 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidobutyl)-2-(4-bromophenyl)-3-methylbutanamide is sourced from PubChem (CID 110356855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).