N-(4-bromophenyl)-3-(3-methylbutylamino)propanamide

C14H21BrN2O — CID 109032040

IUPACN-(4-bromophenyl)-3-(3-methylbutylamino)propanamide
SMILESCC(C)CCNCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-11(2)7-9-16-10-8-14(18)17-13-5-3-12(15)4-6-13/h3-6,11,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyIAEBWNVEEXTWIZ-UHFFFAOYSA-N
MW313.24 g/mol
LogP3.41
Rot. Bonds7

About N-(4-bromophenyl)-3-(3-methylbutylamino)propanamide

N-(4-bromophenyl)-3-(3-methylbutylamino)propanamide (PubChem CID 109032040) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(3-methylbutylamino)propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(3-methylbutylamino)propanamide
PubChem CID109032040
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-(4-bromophenyl)-3-(3-methylbutylamino)propanamide
SMILESCC(C)CCNCCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-11(2)7-9-16-10-8-14(18)17-13-5-3-12(15)4-6-13/h3-6,11,16H,7-10H2,1-2H3,(H,17,18)
InChIKeyIAEBWNVEEXTWIZ-UHFFFAOYSA-N
XLogP3.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.41
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

N-(4-bromophenyl)-4-methylpentanamide
CID 28780538
N-(3,4-dimethylphenyl)-3-(3-methylbutylamino)propanamide
CID 109032012
N'-(4-bromophenyl)-N-(3-methylbutyl)propanediamide
CID 108951809
N-(3,4-dimethoxyphenyl)-3-(3-methylbutylamino)propanamide
CID 109032052
3-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 109032069
5-amino-N-(4-bromophenyl)hexanamide
CID 82848125
N-(4-bromophenyl)-3-(pentan-3-ylamino)propanamide
CID 119106516
N-[3-(4-bromoanilino)-3-oxopropyl]-2-methyl-3-(methylamino)propanamide
CID 119739143
3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide
CID 119739151
3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide;hydrochloride
CID 119739150
N-(4-methylphenyl)-3-(2-methylpropylamino)propanamide
CID 109012816
N-(2,6-difluorophenyl)-3-(3-methylbutylamino)propanamide
CID 109032108

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(3-methylbutylamino)propanamide?
The IUPAC name of N-(4-bromophenyl)-3-(3-methylbutylamino)propanamide (CID 109032040) is N-(4-bromophenyl)-3-(3-methylbutylamino)propanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(3-methylbutylamino)propanamide?
The canonical SMILES for N-(4-bromophenyl)-3-(3-methylbutylamino)propanamide is CC(C)CCNCCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-(3-methylbutylamino)propanamide?
The InChIKey is IAEBWNVEEXTWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-11(2)7-9-16-10-8-14(18)17-13-5-3-12(15)4-6-13/h3-6,11,16H,7-10H2,1-2H3,(H,17,18).
What are the key properties of N-(4-bromophenyl)-3-(3-methylbutylamino)propanamide?
N-(4-bromophenyl)-3-(3-methylbutylamino)propanamide has a molecular weight of 313.24 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(3-methylbutylamino)propanamide is sourced from PubChem (CID 109032040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).