2-bromo-N-(2,4-diethylcyclopentyl)-N,2-dimethylpropanamide

C14H26BrNO — CID 71094849

IUPAC2-bromo-N-(2,4-diethylcyclopentyl)-N,2-dimethylpropanamide
SMILESCCC1CC(CC)C(N(C)C(=O)C(C)(C)Br)C1
InChIInChI=1S/C14H26BrNO/c1-6-10-8-11(7-2)12(9-10)16(5)13(17)14(3,4)15/h10-12H,6-9H2,1-5H3
InChIKeyMVXACGMXFBUDPO-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.83
Rot. Bonds4

About 2-bromo-N-(2,4-diethylcyclopentyl)-N,2-dimethylpropanamide

2-bromo-N-(2,4-diethylcyclopentyl)-N,2-dimethylpropanamide (PubChem CID 71094849) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-bromo-N-(2,4-diethylcyclopentyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-bromo-N-(2,4-diethylcyclopentyl)-N,2-dimethylpropanamide
PubChem CID71094849
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC Name2-bromo-N-(2,4-diethylcyclopentyl)-N,2-dimethylpropanamide
SMILESCCC1CC(CC)C(N(C)C(=O)C(C)(C)Br)C1
InChIInChI=1S/C14H26BrNO/c1-6-10-8-11(7-2)12(9-10)16(5)13(17)14(3,4)15/h10-12H,6-9H2,1-5H3
InChIKeyMVXACGMXFBUDPO-UHFFFAOYSA-N
XLogP3.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.83
H-Bond Donors ≤ 50
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-(2-hydroxycyclohexyl)-N,2-dimethylpropanamide
CID 102631757
2-tert-butyl-6-[(3-tert-butyl-5-ethyl-2-hydroxycyclohexyl)methyl]-4-ethylcyclohexan-1-ol
CID 90464783
2-bromo-N,2-dimethyl-N-(1-methylpiperidin-3-yl)propanamide
CID 114328609
2-[3,3-dimethylbutan-2-yl(methyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 55146906
2-bromo-N-tert-butyl-N,2-dimethylpropanamide
CID 54477333
2-ethyl-4-[[ethyl(methyl)sulfamoyl]methyl]cyclopentane-1-carboxylic acid
CID 123502426
2-amino-N-(2-hydroxycyclohexyl)-N,2-dimethylbutanamide
CID 102632097
4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 63067435
2-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 62608874
5-bromo-N-(4-ethylcyclohexyl)-N-methylthiophene-3-carboxamide
CID 60738324
(2R)-2-ethylcyclopropan-1-ol
CID 173498082
4-ethyl-2-N-methyl-2-N-(2-methylbutan-2-yl)cyclohexane-1,2-diamine
CID 63980553

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,4-diethylcyclopentyl)-N,2-dimethylpropanamide?
The IUPAC name of 2-bromo-N-(2,4-diethylcyclopentyl)-N,2-dimethylpropanamide (CID 71094849) is 2-bromo-N-(2,4-diethylcyclopentyl)-N,2-dimethylpropanamide.
What is the SMILES notation for 2-bromo-N-(2,4-diethylcyclopentyl)-N,2-dimethylpropanamide?
The canonical SMILES for 2-bromo-N-(2,4-diethylcyclopentyl)-N,2-dimethylpropanamide is CCC1CC(CC)C(N(C)C(=O)C(C)(C)Br)C1.
What is the InChIKey of 2-bromo-N-(2,4-diethylcyclopentyl)-N,2-dimethylpropanamide?
The InChIKey is MVXACGMXFBUDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO/c1-6-10-8-11(7-2)12(9-10)16(5)13(17)14(3,4)15/h10-12H,6-9H2,1-5H3.
What are the key properties of 2-bromo-N-(2,4-diethylcyclopentyl)-N,2-dimethylpropanamide?
2-bromo-N-(2,4-diethylcyclopentyl)-N,2-dimethylpropanamide has a molecular weight of 304.27 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,4-diethylcyclopentyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 71094849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).