N-(1-bromo-3-methoxypropan-2-yl)-2-cyclobutylacetamide

C10H18BrNO2 — CID 106184619

IUPACN-(1-bromo-3-methoxypropan-2-yl)-2-cyclobutylacetamide
SMILESCOCC(CBr)NC(=O)CC1CCC1
InChIInChI=1S/C10H18BrNO2/c1-14-7-9(6-11)12-10(13)5-8-3-2-4-8/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyUXWOWXQRHXNRKX-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.70
Rot. Bonds6

About N-(1-bromo-3-methoxypropan-2-yl)-2-cyclobutylacetamide

N-(1-bromo-3-methoxypropan-2-yl)-2-cyclobutylacetamide (PubChem CID 106184619) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is N-(1-bromo-3-methoxypropan-2-yl)-2-cyclobutylacetamide.

Molecular Properties

Compound NameN-(1-bromo-3-methoxypropan-2-yl)-2-cyclobutylacetamide
PubChem CID106184619
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC NameN-(1-bromo-3-methoxypropan-2-yl)-2-cyclobutylacetamide
SMILESCOCC(CBr)NC(=O)CC1CCC1
InChIInChI=1S/C10H18BrNO2/c1-14-7-9(6-11)12-10(13)5-8-3-2-4-8/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyUXWOWXQRHXNRKX-UHFFFAOYSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-1-methoxybutan-2-yl)-2-cyclobutylacetamide
CID 106156450
N-(1-bromo-3-methoxypropan-2-yl)-2-(thian-4-yl)acetamide
CID 106184396
N-(4-chloro-1-methoxybutan-2-yl)-2-cyclobutylacetamide
CID 106155742
2-cyclopentyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799597
2-cyclohexyl-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799313
N-(1-bromo-3-methoxypropan-2-yl)cycloheptanecarboxamide
CID 106184471
N-(4-bromo-1-methoxybutan-2-yl)-3-cyclohexylpropanamide
CID 114151280
N-(1-bromo-3-methoxypropan-2-yl)-2-methylsulfanylacetamide
CID 106184209
N-(1-bromopropan-2-yl)-2-cycloheptylacetamide
CID 114459087
N-(1-bromo-3-methoxypropan-2-yl)-3,3-dimethylbutanamide
CID 106183678
N-(1-bromopentan-3-yl)-2-cycloheptylacetamide
CID 114459144
N-(1-bromo-3-methoxypropan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 106183718

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-2-cyclobutylacetamide?
The IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-2-cyclobutylacetamide (CID 106184619) is N-(1-bromo-3-methoxypropan-2-yl)-2-cyclobutylacetamide.
What is the SMILES notation for N-(1-bromo-3-methoxypropan-2-yl)-2-cyclobutylacetamide?
The canonical SMILES for N-(1-bromo-3-methoxypropan-2-yl)-2-cyclobutylacetamide is COCC(CBr)NC(=O)CC1CCC1.
What is the InChIKey of N-(1-bromo-3-methoxypropan-2-yl)-2-cyclobutylacetamide?
The InChIKey is UXWOWXQRHXNRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2/c1-14-7-9(6-11)12-10(13)5-8-3-2-4-8/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of N-(1-bromo-3-methoxypropan-2-yl)-2-cyclobutylacetamide?
N-(1-bromo-3-methoxypropan-2-yl)-2-cyclobutylacetamide has a molecular weight of 264.16 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methoxypropan-2-yl)-2-cyclobutylacetamide is sourced from PubChem (CID 106184619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).