N-(2-bromo-4-methylpentyl)-3-methyloxolane-2-carboxamide

C12H22BrNO2 — CID 107157668

IUPACN-(2-bromo-4-methylpentyl)-3-methyloxolane-2-carboxamide
SMILESCC(C)CC(Br)CNC(=O)C1OCCC1C
InChIInChI=1S/C12H22BrNO2/c1-8(2)6-10(13)7-14-12(15)11-9(3)4-5-16-11/h8-11H,4-7H2,1-3H3,(H,14,15)
InChIKeyJLTNCPHDIZTTSD-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.34
Rot. Bonds5

About N-(2-bromo-4-methylpentyl)-3-methyloxolane-2-carboxamide

N-(2-bromo-4-methylpentyl)-3-methyloxolane-2-carboxamide (PubChem CID 107157668) has the molecular formula C12H22BrNO2 and a molecular weight of 292.22 g/mol. Its IUPAC name is N-(2-bromo-4-methylpentyl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylpentyl)-3-methyloxolane-2-carboxamide
PubChem CID107157668
Molecular FormulaC12H22BrNO2
Molecular Weight292.22 g/mol
Exact Mass291.08
IUPAC NameN-(2-bromo-4-methylpentyl)-3-methyloxolane-2-carboxamide
SMILESCC(C)CC(Br)CNC(=O)C1OCCC1C
InChIInChI=1S/C12H22BrNO2/c1-8(2)6-10(13)7-14-12(15)11-9(3)4-5-16-11/h8-11H,4-7H2,1-3H3,(H,14,15)
InChIKeyJLTNCPHDIZTTSD-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.34
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

4,4-dimethyl-2-[[(3-methyloxolane-2-carbonyl)amino]methyl]pentanoic acid
CID 107474033
N-(4-bromobutyl)-3-methyloxolane-2-carboxamide
CID 106845690
N-(2-amino-2-oxoethyl)-3-methyloxolane-2-carboxamide
CID 81450030
N-(2-amino-2-methylpropyl)-3-methyloxolane-2-carboxamide
CID 115303323
N-(2-bromo-4-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 107157845
2-methyl-5-[(3-methyloxolane-2-carbonyl)amino]pentanoic acid
CID 104681943
N-(3-iodopropyl)-3-methyloxolane-2-carboxamide
CID 114503961
N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide
CID 115734116
(2S,3R)-N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide
CID 131019910
(2R,3S)-3-methyloxolane-2-carbohydrazide
CID 91654556
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-methyloxolane-2-carboxamide
CID 112700992
1-[[(3-methyloxolane-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 113309602

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylpentyl)-3-methyloxolane-2-carboxamide?
The IUPAC name of N-(2-bromo-4-methylpentyl)-3-methyloxolane-2-carboxamide (CID 107157668) is N-(2-bromo-4-methylpentyl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylpentyl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylpentyl)-3-methyloxolane-2-carboxamide is CC(C)CC(Br)CNC(=O)C1OCCC1C.
What is the InChIKey of N-(2-bromo-4-methylpentyl)-3-methyloxolane-2-carboxamide?
The InChIKey is JLTNCPHDIZTTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO2/c1-8(2)6-10(13)7-14-12(15)11-9(3)4-5-16-11/h8-11H,4-7H2,1-3H3,(H,14,15).
What are the key properties of N-(2-bromo-4-methylpentyl)-3-methyloxolane-2-carboxamide?
N-(2-bromo-4-methylpentyl)-3-methyloxolane-2-carboxamide has a molecular weight of 292.22 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylpentyl)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 107157668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).