3-(4-bromophenyl)-N-(methoxymethyl)-4,4-dimethylpentanamide

C15H22BrNO2 — CID 66666347

IUPAC3-(4-bromophenyl)-N-(methoxymethyl)-4,4-dimethylpentanamide
SMILESCOCNC(=O)CC(c1ccc(Br)cc1)C(C)(C)C
InChIInChI=1S/C15H22BrNO2/c1-15(2,3)13(9-14(18)17-10-19-4)11-5-7-12(16)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,17,18)
InChIKeyZBQLZJWCSWPUIW-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.69
Rot. Bonds5

About 3-(4-bromophenyl)-N-(methoxymethyl)-4,4-dimethylpentanamide

3-(4-bromophenyl)-N-(methoxymethyl)-4,4-dimethylpentanamide (PubChem CID 66666347) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(methoxymethyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(methoxymethyl)-4,4-dimethylpentanamide
PubChem CID66666347
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name3-(4-bromophenyl)-N-(methoxymethyl)-4,4-dimethylpentanamide
SMILESCOCNC(=O)CC(c1ccc(Br)cc1)C(C)(C)C
InChIInChI=1S/C15H22BrNO2/c1-15(2,3)13(9-14(18)17-10-19-4)11-5-7-12(16)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,17,18)
InChIKeyZBQLZJWCSWPUIW-UHFFFAOYSA-N
XLogP3.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(4-hydroxyphenyl)-4,4-dimethylpentanehydrazide
CID 150728986
3-(4-fluorophenyl)-N,4,4-trimethylpentanamide
CID 82083910
3-(4-bromophenyl)-4,4-dimethylpentan-1-ol
CID 115050497
2-hydroxy-5-(4-methoxyphenyl)-2,6,6-trimethylheptan-3-one
CID 101413027
methyl 2-(4-bromophenyl)-3-methoxypropanoate
CID 117245340
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 113436567
N-(2,2-dimethylpropanoyl)-4,4-dimethyl-3-phenylpentanamide
CID 102034056
methyl 3-acetyloxy-3-(4-bromophenyl)propanoate
CID 42605282
(3R)-3-(4-bromophenyl)-3-(3-methoxypropanoylamino)propanoic acid
CID 97324036
methyl 3-(4-bromophenyl)-3-[(2-tert-butylsulfanylacetyl)amino]propanoate
CID 134015857
3-[1-(4-bromophenyl)ethylcarbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66175941
3-(4-bromophenyl)-N-(2,2-difluoro-3-hydroxypropyl)butanamide
CID 104857295

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(methoxymethyl)-4,4-dimethylpentanamide?
The IUPAC name of 3-(4-bromophenyl)-N-(methoxymethyl)-4,4-dimethylpentanamide (CID 66666347) is 3-(4-bromophenyl)-N-(methoxymethyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-(methoxymethyl)-4,4-dimethylpentanamide?
The canonical SMILES for 3-(4-bromophenyl)-N-(methoxymethyl)-4,4-dimethylpentanamide is COCNC(=O)CC(c1ccc(Br)cc1)C(C)(C)C.
What is the InChIKey of 3-(4-bromophenyl)-N-(methoxymethyl)-4,4-dimethylpentanamide?
The InChIKey is ZBQLZJWCSWPUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-15(2,3)13(9-14(18)17-10-19-4)11-5-7-12(16)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,17,18).
What are the key properties of 3-(4-bromophenyl)-N-(methoxymethyl)-4,4-dimethylpentanamide?
3-(4-bromophenyl)-N-(methoxymethyl)-4,4-dimethylpentanamide has a molecular weight of 328.25 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-(methoxymethyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 66666347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).