N-(1-bromo-2-methylpropan-2-yl)-3-(2-methylphenyl)propanamide

C14H20BrNO — CID 114307883

IUPACN-(1-bromo-2-methylpropan-2-yl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)NC(C)(C)CBr
InChIInChI=1S/C14H20BrNO/c1-11-6-4-5-7-12(11)8-9-13(17)16-14(2,3)10-15/h4-7H,8-10H2,1-3H3,(H,16,17)
InChIKeyZZPXWQOMDGYVFO-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.22
Rot. Bonds5

About N-(1-bromo-2-methylpropan-2-yl)-3-(2-methylphenyl)propanamide

N-(1-bromo-2-methylpropan-2-yl)-3-(2-methylphenyl)propanamide (PubChem CID 114307883) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is N-(1-bromo-2-methylpropan-2-yl)-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylpropan-2-yl)-3-(2-methylphenyl)propanamide
PubChem CID114307883
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC NameN-(1-bromo-2-methylpropan-2-yl)-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)NC(C)(C)CBr
InChIInChI=1S/C14H20BrNO/c1-11-6-4-5-7-12(11)8-9-13(17)16-14(2,3)10-15/h4-7H,8-10H2,1-3H3,(H,16,17)
InChIKeyZZPXWQOMDGYVFO-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,5-bis(2-methylphenyl)pentan-3-one
CID 15191871
N-(1-bromo-2-methylpropan-2-yl)-2-phenylacetamide
CID 114307896
2-methyl-2-[3-(2-methylphenyl)propanoylamino]butanoic acid
CID 79793673
N-[3-(aminomethyl)pentan-3-yl]-3-(2-methylphenyl)propanamide
CID 63765909
N-(3-bromopropyl)-3-(2-methylphenyl)propanamide
CID 62365536
N-(1-bromo-2-methylpropan-2-yl)-2-(2,5-dimethylphenyl)acetamide
CID 114308151
N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide
CID 94268169
4-amino-N-[2-methyl-1-(2-methylphenyl)propan-2-yl]butanamide
CID 119318192
N-(2-bromo-4,4-dimethylpentyl)-3-(2-methylphenyl)propanamide
CID 107156685
N-(1-bromo-2-methylpropan-2-yl)-2-(2,3-difluorophenyl)acetamide
CID 114308202
N-(1-bromo-4-methylpentan-2-yl)-3-(2-methylphenyl)propanamide
CID 113274924
3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
CID 63283832

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-3-(2-methylphenyl)propanamide?
The IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-3-(2-methylphenyl)propanamide (CID 114307883) is N-(1-bromo-2-methylpropan-2-yl)-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-(1-bromo-2-methylpropan-2-yl)-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-(1-bromo-2-methylpropan-2-yl)-3-(2-methylphenyl)propanamide is Cc1ccccc1CCC(=O)NC(C)(C)CBr.
What is the InChIKey of N-(1-bromo-2-methylpropan-2-yl)-3-(2-methylphenyl)propanamide?
The InChIKey is ZZPXWQOMDGYVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-11-6-4-5-7-12(11)8-9-13(17)16-14(2,3)10-15/h4-7H,8-10H2,1-3H3,(H,16,17).
What are the key properties of N-(1-bromo-2-methylpropan-2-yl)-3-(2-methylphenyl)propanamide?
N-(1-bromo-2-methylpropan-2-yl)-3-(2-methylphenyl)propanamide has a molecular weight of 298.22 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylpropan-2-yl)-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 114307883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).