2-bromo-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]propanamide

C13H24BrNO — CID 114328747

IUPAC2-bromo-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]propanamide
SMILESCC1CCC(CCNC(=O)C(C)(C)Br)CC1
InChIInChI=1S/C13H24BrNO/c1-10-4-6-11(7-5-10)8-9-15-12(16)13(2,3)14/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyPHNLAJUNVTZBJZ-UHFFFAOYSA-N
MW290.24 g/mol
LogP3.49
Rot. Bonds4

About 2-bromo-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]propanamide

2-bromo-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]propanamide (PubChem CID 114328747) has the molecular formula C13H24BrNO and a molecular weight of 290.24 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]propanamide
PubChem CID114328747
Molecular FormulaC13H24BrNO
Molecular Weight290.24 g/mol
Exact Mass289.10
IUPAC Name2-bromo-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]propanamide
SMILESCC1CCC(CCNC(=O)C(C)(C)Br)CC1
InChIInChI=1S/C13H24BrNO/c1-10-4-6-11(7-5-10)8-9-15-12(16)13(2,3)14/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyPHNLAJUNVTZBJZ-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 53.49
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

2-bromo-N-[(3-hydroxycyclopentyl)methyl]-2-methylpropanamide
CID 106127935
5-bromo-N-[2-(4-methylcyclohexyl)ethyl]pentanamide
CID 107910137
5-chloro-N-[2-(4-methylcyclohexyl)ethyl]furan-2-carboxamide
CID 106686875
5-hydroxy-N-[2-(4-methylcyclohexyl)ethyl]pentanamide
CID 79209594
2-bromo-N-(2-hydroxyethyl)-2-methylpropanamide
CID 51711451
2,5-dibromo-N-[2-(4-methylcyclohexyl)ethyl]benzamide
CID 114372404
1,3-bis(2-cyclopropylethyl)urea
CID 68635931
2-hydroxy-2-methyl-N-[2-(3-methylcyclohexyl)ethyl]propanamide
CID 103430075
2-[(2-bromo-2-methylpropanoyl)amino]ethylazanium
CID 102380329
2,2-dimethyl-3-[2-(4-methylcyclohexyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 64836970
1-(aminomethyl)-3-methyl-N-[2-(4-methylcyclohexyl)ethyl]cyclobutane-1-carboxamide
CID 80598794
2-bromo-N-[2-(4-methylcyclohexyl)ethyl]pyridine-3-carboxamide
CID 114036166

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]propanamide?
The IUPAC name of 2-bromo-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]propanamide (CID 114328747) is 2-bromo-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]propanamide is CC1CCC(CCNC(=O)C(C)(C)Br)CC1.
What is the InChIKey of 2-bromo-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]propanamide?
The InChIKey is PHNLAJUNVTZBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO/c1-10-4-6-11(7-5-10)8-9-15-12(16)13(2,3)14/h10-11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 2-bromo-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]propanamide?
2-bromo-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]propanamide has a molecular weight of 290.24 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-[2-(4-methylcyclohexyl)ethyl]propanamide is sourced from PubChem (CID 114328747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).