N-(1-bromo-3-methoxypropan-2-yl)-3,3-dimethylbutanamide

C10H20BrNO2 — CID 106183678

IUPACN-(1-bromo-3-methoxypropan-2-yl)-3,3-dimethylbutanamide
SMILESCOCC(CBr)NC(=O)CC(C)(C)C
InChIInChI=1S/C10H20BrNO2/c1-10(2,3)5-9(13)12-8(6-11)7-14-4/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyXXIIAYOJPMWUFS-UHFFFAOYSA-N
MW266.18 g/mol
LogP1.95
Rot. Bonds5

About N-(1-bromo-3-methoxypropan-2-yl)-3,3-dimethylbutanamide

N-(1-bromo-3-methoxypropan-2-yl)-3,3-dimethylbutanamide (PubChem CID 106183678) has the molecular formula C10H20BrNO2 and a molecular weight of 266.18 g/mol. Its IUPAC name is N-(1-bromo-3-methoxypropan-2-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(1-bromo-3-methoxypropan-2-yl)-3,3-dimethylbutanamide
PubChem CID106183678
Molecular FormulaC10H20BrNO2
Molecular Weight266.18 g/mol
Exact Mass265.07
IUPAC NameN-(1-bromo-3-methoxypropan-2-yl)-3,3-dimethylbutanamide
SMILESCOCC(CBr)NC(=O)CC(C)(C)C
InChIInChI=1S/C10H20BrNO2/c1-10(2,3)5-9(13)12-8(6-11)7-14-4/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyXXIIAYOJPMWUFS-UHFFFAOYSA-N
XLogP1.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 51.95
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)-3,3-dimethylbutanamide
CID 106155980
N-(1-bromo-3-methoxypropan-2-yl)-2-methylsulfanylacetamide
CID 106184209
N-(1-bromo-3-methoxypropan-2-yl)-2-cyclobutylacetamide
CID 106184619
N-(1-bromo-3-methoxypropan-2-yl)-2-(4-fluorophenyl)acetamide
CID 106184175
CID 164924780
CID 164924780
N-(1-bromo-3-methoxypropan-2-yl)-2-(thian-4-yl)acetamide
CID 106184396
4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 106155459
N-(1-bromo-3-methoxypropan-2-yl)cycloheptanecarboxamide
CID 106184471
N-(1-bromo-3-methoxypropan-2-yl)-2-(3-chlorophenyl)acetamide
CID 106184117
N-(1-bromo-3-methoxypropan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 114155384
N-(1-bromo-3-methoxypropan-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 106184806
N-(1-methoxybutan-2-yl)propanamide
CID 64590697

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-3,3-dimethylbutanamide?
The IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-3,3-dimethylbutanamide (CID 106183678) is N-(1-bromo-3-methoxypropan-2-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(1-bromo-3-methoxypropan-2-yl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(1-bromo-3-methoxypropan-2-yl)-3,3-dimethylbutanamide is COCC(CBr)NC(=O)CC(C)(C)C.
What is the InChIKey of N-(1-bromo-3-methoxypropan-2-yl)-3,3-dimethylbutanamide?
The InChIKey is XXIIAYOJPMWUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2/c1-10(2,3)5-9(13)12-8(6-11)7-14-4/h8H,5-7H2,1-4H3,(H,12,13).
What are the key properties of N-(1-bromo-3-methoxypropan-2-yl)-3,3-dimethylbutanamide?
N-(1-bromo-3-methoxypropan-2-yl)-3,3-dimethylbutanamide has a molecular weight of 266.18 g/mol, XLogP of 1.95, 5 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)-3,3-dimethylbutanamide is sourced from PubChem (CID 106183678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).