N-(4-bromobutyl)-3-methyloxolane-2-carboxamide

C10H18BrNO2 — CID 106845690

IUPACN-(4-bromobutyl)-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NCCCCBr
InChIInChI=1S/C10H18BrNO2/c1-8-4-7-14-9(8)10(13)12-6-3-2-5-11/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyXUKQWNQWUPZALC-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.70
Rot. Bonds5

About N-(4-bromobutyl)-3-methyloxolane-2-carboxamide

N-(4-bromobutyl)-3-methyloxolane-2-carboxamide (PubChem CID 106845690) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is N-(4-bromobutyl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromobutyl)-3-methyloxolane-2-carboxamide
PubChem CID106845690
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC NameN-(4-bromobutyl)-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NCCCCBr
InChIInChI=1S/C10H18BrNO2/c1-8-4-7-14-9(8)10(13)12-6-3-2-5-11/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyXUKQWNQWUPZALC-UHFFFAOYSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(3-iodopropyl)-3-methyloxolane-2-carboxamide
CID 114503961
2-methyl-5-[(3-methyloxolane-2-carbonyl)amino]pentanoic acid
CID 104681943
N-(4-bromobutyl)oxane-4-carboxamide
CID 106845809
N-(2-amino-2-oxoethyl)-3-methyloxolane-2-carboxamide
CID 81450030
N-(4-bromobutyl)oxane-2-carboxamide
CID 106845688
N-(2-amino-2-methylpropyl)-3-methyloxolane-2-carboxamide
CID 115303323
N-(4-bromobutyl)oxolane-3-carboxamide
CID 106845774
(2S,3R)-N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide
CID 131019910
N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide
CID 115734116
N-(2-bromo-4-methylpentyl)-3-methyloxolane-2-carboxamide
CID 107157668
(2R,3S)-3-methyloxolane-2-carbohydrazide
CID 91654556
N-[3-(bromomethyl)pentan-3-yl]-3-methyloxolane-2-carboxamide
CID 114315244

Frequently Asked Questions

What is the IUPAC name of N-(4-bromobutyl)-3-methyloxolane-2-carboxamide?
The IUPAC name of N-(4-bromobutyl)-3-methyloxolane-2-carboxamide (CID 106845690) is N-(4-bromobutyl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(4-bromobutyl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-(4-bromobutyl)-3-methyloxolane-2-carboxamide is CC1CCOC1C(=O)NCCCCBr.
What is the InChIKey of N-(4-bromobutyl)-3-methyloxolane-2-carboxamide?
The InChIKey is XUKQWNQWUPZALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2/c1-8-4-7-14-9(8)10(13)12-6-3-2-5-11/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of N-(4-bromobutyl)-3-methyloxolane-2-carboxamide?
N-(4-bromobutyl)-3-methyloxolane-2-carboxamide has a molecular weight of 264.16 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromobutyl)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 106845690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).