N-[2-(2-bromoethoxy)ethyl]-5-methyloxolane-3-carboxamide

C10H18BrNO3 — CID 114823271

IUPACN-[2-(2-bromoethoxy)ethyl]-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NCCOCCBr)CO1
InChIInChI=1S/C10H18BrNO3/c1-8-6-9(7-15-8)10(13)12-3-5-14-4-2-11/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyOANWPZKPPCHYGP-UHFFFAOYSA-N
MW280.16 g/mol
LogP0.94
Rot. Bonds6

About N-[2-(2-bromoethoxy)ethyl]-5-methyloxolane-3-carboxamide

N-[2-(2-bromoethoxy)ethyl]-5-methyloxolane-3-carboxamide (PubChem CID 114823271) has the molecular formula C10H18BrNO3 and a molecular weight of 280.16 g/mol. Its IUPAC name is N-[2-(2-bromoethoxy)ethyl]-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromoethoxy)ethyl]-5-methyloxolane-3-carboxamide
PubChem CID114823271
Molecular FormulaC10H18BrNO3
Molecular Weight280.16 g/mol
Exact Mass279.05
IUPAC NameN-[2-(2-bromoethoxy)ethyl]-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NCCOCCBr)CO1
InChIInChI=1S/C10H18BrNO3/c1-8-6-9(7-15-8)10(13)12-3-5-14-4-2-11/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyOANWPZKPPCHYGP-UHFFFAOYSA-N
XLogP0.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-bromo-4-methoxybutyl)-5-methyloxolane-3-carboxamide
CID 106245074
N-[(4-hydroxycyclohexyl)methyl]-5-methyloxolane-3-carboxamide
CID 106124593
2-methyl-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 114824533
N-(4-chloropentyl)-5-methyloxolane-3-carboxamide
CID 106129813
5-methyl-N-(2-pyrrolidin-3-ylethyl)oxolane-3-carboxamide
CID 114826399
N-but-2-ynyl-5-methyloxolane-3-carboxamide
CID 126992947
N-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide
CID 104979236
2-methyl-5-[(5-methyloxolane-3-carbonyl)amino]pentanoic acid
CID 114824595
N-(2,2-diethoxyethyl)-5-methyloxolane-3-carboxamide
CID 114825656
4,4-dimethyl-6-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid
CID 114824492
N-[3-(2-bromoethoxy)propyl]cycloheptanecarboxamide
CID 106307600
5-methyl-N-(2-methylpropoxy)oxolane-3-carboxamide
CID 114826134

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethoxy)ethyl]-5-methyloxolane-3-carboxamide?
The IUPAC name of N-[2-(2-bromoethoxy)ethyl]-5-methyloxolane-3-carboxamide (CID 114823271) is N-[2-(2-bromoethoxy)ethyl]-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[2-(2-bromoethoxy)ethyl]-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-[2-(2-bromoethoxy)ethyl]-5-methyloxolane-3-carboxamide is CC1CC(C(=O)NCCOCCBr)CO1.
What is the InChIKey of N-[2-(2-bromoethoxy)ethyl]-5-methyloxolane-3-carboxamide?
The InChIKey is OANWPZKPPCHYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO3/c1-8-6-9(7-15-8)10(13)12-3-5-14-4-2-11/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of N-[2-(2-bromoethoxy)ethyl]-5-methyloxolane-3-carboxamide?
N-[2-(2-bromoethoxy)ethyl]-5-methyloxolane-3-carboxamide has a molecular weight of 280.16 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethoxy)ethyl]-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 114823271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).