N-(4-bromo-2-methylphenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide

C18H25BrN2O2 — CID 108959069

IUPACN-(4-bromo-2-methylphenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
SMILESCc1cc(Br)ccc1NC(=O)C(C)(C)C(=O)NC1CCCCC1
InChIInChI=1S/C18H25BrN2O2/c1-12-11-13(19)9-10-15(12)21-17(23)18(2,3)16(22)20-14-7-5-4-6-8-14/h9-11,14H,4-8H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyBCBJEPJQCRIJMS-UHFFFAOYSA-N
MW381.31 g/mol
LogP4.17
Rot. Bonds4

About N-(4-bromo-2-methylphenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide

N-(4-bromo-2-methylphenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide (PubChem CID 108959069) has the molecular formula C18H25BrN2O2 and a molecular weight of 381.31 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
PubChem CID108959069
Molecular FormulaC18H25BrN2O2
Molecular Weight381.31 g/mol
Exact Mass380.11
IUPAC NameN-(4-bromo-2-methylphenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
SMILESCc1cc(Br)ccc1NC(=O)C(C)(C)C(=O)NC1CCCCC1
InChIInChI=1S/C18H25BrN2O2/c1-12-11-13(19)9-10-15(12)21-17(23)18(2,3)16(22)20-14-7-5-4-6-8-14/h9-11,14H,4-8H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyBCBJEPJQCRIJMS-UHFFFAOYSA-N
XLogP4.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959030
2-amino-N-(4-bromo-2-methylphenyl)-2-cyclopropylpropanamide
CID 60866775
N-cycloheptyl-N'-(3,4-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108966089
N-(4-bromo-2-methylphenyl)-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958504
N-(4-bromo-2-methylphenyl)cyclohexanecarboxamide
CID 798737
N-(4-bromo-2-methylphenyl)-2,2-dimethyl-3-(4-methylpiperidin-1-yl)-3-oxopropanamide
CID 108959255
N-cyclohexyl-N'-(2,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108959041
N,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069
N-(3-chloro-4-methylphenyl)-N'-cycloheptyl-2,2-dimethylpropanediamide
CID 108966110
N-cyclopentyl-N'-(2,5-dichlorophenyl)-2,2-dimethylpropanediamide
CID 108958708
N-cyclopentyl-N'-(2-methoxy-5-methylphenyl)-2,2-dimethylpropanediamide
CID 108958662
N-cycloheptyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108966127

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide (CID 108959069) is N-(4-bromo-2-methylphenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide is Cc1cc(Br)ccc1NC(=O)C(C)(C)C(=O)NC1CCCCC1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide?
The InChIKey is BCBJEPJQCRIJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O2/c1-12-11-13(19)9-10-15(12)21-17(23)18(2,3)16(22)20-14-7-5-4-6-8-14/h9-11,14H,4-8H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-bromo-2-methylphenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide?
N-(4-bromo-2-methylphenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide has a molecular weight of 381.31 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide is sourced from PubChem (CID 108959069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).