2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbutanamide

C12H22BrNO2 — CID 114948686

IUPAC2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbutanamide
SMILESCC(C)C(Br)C(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C12H22BrNO2/c1-9(2)10(13)11(15)14(3)8-12(16)6-4-5-7-12/h9-10,16H,4-8H2,1-3H3
InChIKeyKIYRQALKVFEQFW-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.17
Rot. Bonds4

About 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbutanamide

2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbutanamide (PubChem CID 114948686) has the molecular formula C12H22BrNO2 and a molecular weight of 292.22 g/mol. Its IUPAC name is 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbutanamide
PubChem CID114948686
Molecular FormulaC12H22BrNO2
Molecular Weight292.22 g/mol
Exact Mass291.08
IUPAC Name2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbutanamide
SMILESCC(C)C(Br)C(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C12H22BrNO2/c1-9(2)10(13)11(15)14(3)8-12(16)6-4-5-7-12/h9-10,16H,4-8H2,1-3H3
InChIKeyKIYRQALKVFEQFW-UHFFFAOYSA-N
XLogP2.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbutanamide?
The IUPAC name of 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbutanamide (CID 114948686) is 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbutanamide.
What is the SMILES notation for 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbutanamide?
The canonical SMILES for 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbutanamide is CC(C)C(Br)C(=O)N(C)CC1(O)CCCC1.
What is the InChIKey of 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbutanamide?
The InChIKey is KIYRQALKVFEQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO2/c1-9(2)10(13)11(15)14(3)8-12(16)6-4-5-7-12/h9-10,16H,4-8H2,1-3H3.
What are the key properties of 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbutanamide?
2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbutanamide has a molecular weight of 292.22 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 114948686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).