2-bromo-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide

C14H26BrNO — CID 114328916

IUPAC2-bromo-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide
SMILESCC(C)CC1(CNC(=O)C(C)(C)Br)CCCC1
InChIInChI=1S/C14H26BrNO/c1-11(2)9-14(7-5-6-8-14)10-16-12(17)13(3,4)15/h11H,5-10H2,1-4H3,(H,16,17)
InChIKeyPOBKQUKQVKYWRW-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.88
Rot. Bonds5

About 2-bromo-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide

2-bromo-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide (PubChem CID 114328916) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide
PubChem CID114328916
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC Name2-bromo-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide
SMILESCC(C)CC1(CNC(=O)C(C)(C)Br)CCCC1
InChIInChI=1S/C14H26BrNO/c1-11(2)9-14(7-5-6-8-14)10-16-12(17)13(3,4)15/h11H,5-10H2,1-4H3,(H,16,17)
InChIKeyPOBKQUKQVKYWRW-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.88
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-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 114328802
2-bromo-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-methylpropanamide
CID 114756197
methyl 2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-2-oxoacetate
CID 112617453
1-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclopropane-1-carboxamide
CID 119788836
2-(methylamino)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]acetamide
CID 119788858
1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea
CID 116656790
1-amino-N-[[1-(2-methylpropyl)cyclopropyl]methyl]cyclopentane-1-carboxamide
CID 119345128
3-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]propanamide
CID 119326669
3-bromo-4-[[1-(2-methylpropyl)cyclopentyl]methylamino]benzoic acid
CID 82790068
tert-butyl N-[3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propyl]carbamate
CID 103821958
2,2-dimethyl-4-[[1-(2-methylpropyl)cyclopropyl]methylamino]-4-oxobutanoic acid
CID 119161010
N-[[1-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylpropanamide
CID 103969722

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide?
The IUPAC name of 2-bromo-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide (CID 114328916) is 2-bromo-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide is CC(C)CC1(CNC(=O)C(C)(C)Br)CCCC1.
What is the InChIKey of 2-bromo-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide?
The InChIKey is POBKQUKQVKYWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO/c1-11(2)9-14(7-5-6-8-14)10-16-12(17)13(3,4)15/h11H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 2-bromo-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide?
2-bromo-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide has a molecular weight of 304.27 g/mol, XLogP of 3.88, 5 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-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide is sourced from PubChem (CID 114328916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).