N-(1-bromo-3-methylpentan-3-yl)-2-naphthalen-1-ylacetamide

C18H22BrNO — CID 106169006

IUPACN-(1-bromo-3-methylpentan-3-yl)-2-naphthalen-1-ylacetamide
SMILESCCC(C)(CCBr)NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C18H22BrNO/c1-3-18(2,11-12-19)20-17(21)13-15-9-6-8-14-7-4-5-10-16(14)15/h4-10H,3,11-13H2,1-2H3,(H,20,21)
InChIKeyRWBBAUIWQKHGQA-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.45
Rot. Bonds6

About N-(1-bromo-3-methylpentan-3-yl)-2-naphthalen-1-ylacetamide

N-(1-bromo-3-methylpentan-3-yl)-2-naphthalen-1-ylacetamide (PubChem CID 106169006) has the molecular formula C18H22BrNO and a molecular weight of 348.28 g/mol. Its IUPAC name is N-(1-bromo-3-methylpentan-3-yl)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(1-bromo-3-methylpentan-3-yl)-2-naphthalen-1-ylacetamide
PubChem CID106169006
Molecular FormulaC18H22BrNO
Molecular Weight348.28 g/mol
Exact Mass347.09
IUPAC NameN-(1-bromo-3-methylpentan-3-yl)-2-naphthalen-1-ylacetamide
SMILESCCC(C)(CCBr)NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C18H22BrNO/c1-3-18(2,11-12-19)20-17(21)13-15-9-6-8-14-7-4-5-10-16(14)15/h4-10H,3,11-13H2,1-2H3,(H,20,21)
InChIKeyRWBBAUIWQKHGQA-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.45
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

N-(1-bromo-3-methylpentan-3-yl)-2-(4-methylphenyl)acetamide
CID 114153294
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-naphthalen-1-ylacetamide
CID 103895382
N-(1-amino-2-methylpropan-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride
CID 119523894
N-(1-bromo-3-methylpentan-3-yl)-4-phenylbutanamide
CID 114153222
2-(2-aminophenyl)-N-(3-methylpentan-3-yl)acetamide
CID 113315023
3-methyl-3-(naphthalen-1-ylmethylamino)pentan-1-ol
CID 103774843
N-(1-chloro-3-methylpentan-3-yl)-2-(2-fluorophenyl)acetamide
CID 114153124
N-(2-hydroxy-2-methylpropyl)-2-naphthalen-1-ylacetamide
CID 65110602
N-(3-bromopropyl)-2-naphthalen-1-ylacetamide
CID 43246333
N-(1-chloro-3-methylpentan-3-yl)-2-naphthalen-2-ylacetamide
CID 106168408
N-(1-amino-2-cyclopropylpropan-2-yl)-2-naphthalen-1-ylacetamide;hydrochloride
CID 119574755
trimethyl-[(2-naphthalen-1-ylacetyl)amino]azanium
CID 872172

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(1-bromo-3-methylpentan-3-yl)-2-naphthalen-1-ylacetamide (CID 106169006) is N-(1-bromo-3-methylpentan-3-yl)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(1-bromo-3-methylpentan-3-yl)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(1-bromo-3-methylpentan-3-yl)-2-naphthalen-1-ylacetamide is CCC(C)(CCBr)NC(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-(1-bromo-3-methylpentan-3-yl)-2-naphthalen-1-ylacetamide?
The InChIKey is RWBBAUIWQKHGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrNO/c1-3-18(2,11-12-19)20-17(21)13-15-9-6-8-14-7-4-5-10-16(14)15/h4-10H,3,11-13H2,1-2H3,(H,20,21).
What are the key properties of N-(1-bromo-3-methylpentan-3-yl)-2-naphthalen-1-ylacetamide?
N-(1-bromo-3-methylpentan-3-yl)-2-naphthalen-1-ylacetamide has a molecular weight of 348.28 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methylpentan-3-yl)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 106169006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).