N-(3-bromo-4-methoxybutyl)-5-methyloxolane-3-carboxamide

C11H20BrNO3 — CID 106245074

IUPACN-(3-bromo-4-methoxybutyl)-5-methyloxolane-3-carboxamide
SMILESCOCC(Br)CCNC(=O)C1COC(C)C1
InChIInChI=1S/C11H20BrNO3/c1-8-5-9(6-16-8)11(14)13-4-3-10(12)7-15-2/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyNSLIGZPAMLTGRQ-UHFFFAOYSA-N
MW294.19 g/mol
LogP1.33
Rot. Bonds6

About N-(3-bromo-4-methoxybutyl)-5-methyloxolane-3-carboxamide

N-(3-bromo-4-methoxybutyl)-5-methyloxolane-3-carboxamide (PubChem CID 106245074) has the molecular formula C11H20BrNO3 and a molecular weight of 294.19 g/mol. Its IUPAC name is N-(3-bromo-4-methoxybutyl)-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxybutyl)-5-methyloxolane-3-carboxamide
PubChem CID106245074
Molecular FormulaC11H20BrNO3
Molecular Weight294.19 g/mol
Exact Mass293.06
IUPAC NameN-(3-bromo-4-methoxybutyl)-5-methyloxolane-3-carboxamide
SMILESCOCC(Br)CCNC(=O)C1COC(C)C1
InChIInChI=1S/C11H20BrNO3/c1-8-5-9(6-16-8)11(14)13-4-3-10(12)7-15-2/h8-10H,3-7H2,1-2H3,(H,13,14)
InChIKeyNSLIGZPAMLTGRQ-UHFFFAOYSA-N
XLogP1.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 114824533
N-[2-(2-bromoethoxy)ethyl]-5-methyloxolane-3-carboxamide
CID 114823271
N-(3-bromo-4-methoxybutyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 106245062
N-(4-chloropentyl)-5-methyloxolane-3-carboxamide
CID 106129813
N-(3-bromo-4-methoxybutyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106244912
2-methyl-5-[(5-methyloxolane-3-carbonyl)amino]pentanoic acid
CID 114824595
N-(3-bromo-4-methoxybutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106244823
N-(3-bromo-4-methoxybutyl)-2-ethyloxolane-3-carboxamide
CID 106244922
N-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide
CID 104979236
N-(2,2-diethoxyethyl)-5-methyloxolane-3-carboxamide
CID 114825656
3-methoxy-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 103153048
5-methyl-N-(2-methylpropoxy)oxolane-3-carboxamide
CID 114826134

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxybutyl)-5-methyloxolane-3-carboxamide?
The IUPAC name of N-(3-bromo-4-methoxybutyl)-5-methyloxolane-3-carboxamide (CID 106245074) is N-(3-bromo-4-methoxybutyl)-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methoxybutyl)-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-(3-bromo-4-methoxybutyl)-5-methyloxolane-3-carboxamide is COCC(Br)CCNC(=O)C1COC(C)C1.
What is the InChIKey of N-(3-bromo-4-methoxybutyl)-5-methyloxolane-3-carboxamide?
The InChIKey is NSLIGZPAMLTGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO3/c1-8-5-9(6-16-8)11(14)13-4-3-10(12)7-15-2/h8-10H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-(3-bromo-4-methoxybutyl)-5-methyloxolane-3-carboxamide?
N-(3-bromo-4-methoxybutyl)-5-methyloxolane-3-carboxamide has a molecular weight of 294.19 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxybutyl)-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 106245074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).