N-(5-bromo-2,2-dimethylpentyl)-2-methyloxolane-3-carboxamide

C13H24BrNO2 — CID 106145624

IUPACN-(5-bromo-2,2-dimethylpentyl)-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCC(C)(C)CCCBr
InChIInChI=1S/C13H24BrNO2/c1-10-11(5-8-17-10)12(16)15-9-13(2,3)6-4-7-14/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyMWLITAFVQDKFLL-UHFFFAOYSA-N
MW306.24 g/mol
LogP2.73
Rot. Bonds6

About N-(5-bromo-2,2-dimethylpentyl)-2-methyloxolane-3-carboxamide

N-(5-bromo-2,2-dimethylpentyl)-2-methyloxolane-3-carboxamide (PubChem CID 106145624) has the molecular formula C13H24BrNO2 and a molecular weight of 306.24 g/mol. Its IUPAC name is N-(5-bromo-2,2-dimethylpentyl)-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2,2-dimethylpentyl)-2-methyloxolane-3-carboxamide
PubChem CID106145624
Molecular FormulaC13H24BrNO2
Molecular Weight306.24 g/mol
Exact Mass305.10
IUPAC NameN-(5-bromo-2,2-dimethylpentyl)-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCC(C)(C)CCCBr
InChIInChI=1S/C13H24BrNO2/c1-10-11(5-8-17-10)12(16)15-9-13(2,3)6-4-7-14/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeyMWLITAFVQDKFLL-UHFFFAOYSA-N
XLogP2.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 52.73
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-(5-bromo-2,2-dimethylpentyl)oxane-4-carboxamide
CID 106145377
N-(4-bromo-2,2-dimethylbutyl)-2-ethyloxolane-3-carboxamide
CID 106143568
N-(5-bromo-2,2-dimethylpentyl)-4-methylcyclohexane-1-carboxamide
CID 114149740
N-ethyl-2-methyloxolane-3-carboxamide
CID 79758522
N-(5-bromo-2,2-dimethylpentyl)-4-butylcyclohexane-1-carboxamide
CID 106145391
2-[(2-methyloxolane-3-carbonyl)amino]acetic acid
CID 79750229
2-methyl-N-prop-2-ynyloxolane-3-carboxamide
CID 79762562
N-[2-(2-bromoethyl)pentyl]-2-methyloxolane-3-carboxamide
CID 106118030
N-[(4-bromocyclohexyl)methyl]-2-methyloxolane-3-carboxamide
CID 106134904
N-(5-bromo-2,2-dimethylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106145635
2-methyl-N-pent-4-ynyloxolane-3-carboxamide
CID 103894078
2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)oxolane-3-carboxamide
CID 79760319

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2,2-dimethylpentyl)-2-methyloxolane-3-carboxamide?
The IUPAC name of N-(5-bromo-2,2-dimethylpentyl)-2-methyloxolane-3-carboxamide (CID 106145624) is N-(5-bromo-2,2-dimethylpentyl)-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-(5-bromo-2,2-dimethylpentyl)-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-(5-bromo-2,2-dimethylpentyl)-2-methyloxolane-3-carboxamide is CC1OCCC1C(=O)NCC(C)(C)CCCBr.
What is the InChIKey of N-(5-bromo-2,2-dimethylpentyl)-2-methyloxolane-3-carboxamide?
The InChIKey is MWLITAFVQDKFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO2/c1-10-11(5-8-17-10)12(16)15-9-13(2,3)6-4-7-14/h10-11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of N-(5-bromo-2,2-dimethylpentyl)-2-methyloxolane-3-carboxamide?
N-(5-bromo-2,2-dimethylpentyl)-2-methyloxolane-3-carboxamide has a molecular weight of 306.24 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2,2-dimethylpentyl)-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 106145624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).