N-[2-(2-bromoethoxy)ethyl]-3-methylpentanamide

C10H20BrNO2 — CID 114876985

IUPACN-[2-(2-bromoethoxy)ethyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NCCOCCBr
InChIInChI=1S/C10H20BrNO2/c1-3-9(2)8-10(13)12-5-7-14-6-4-11/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyVTLRWKFNJREZRJ-UHFFFAOYSA-N
MW266.18 g/mol
LogP1.95
Rot. Bonds8

About N-[2-(2-bromoethoxy)ethyl]-3-methylpentanamide

N-[2-(2-bromoethoxy)ethyl]-3-methylpentanamide (PubChem CID 114876985) has the molecular formula C10H20BrNO2 and a molecular weight of 266.18 g/mol. Its IUPAC name is N-[2-(2-bromoethoxy)ethyl]-3-methylpentanamide.

Molecular Properties

Compound NameN-[2-(2-bromoethoxy)ethyl]-3-methylpentanamide
PubChem CID114876985
Molecular FormulaC10H20BrNO2
Molecular Weight266.18 g/mol
Exact Mass265.07
IUPAC NameN-[2-(2-bromoethoxy)ethyl]-3-methylpentanamide
SMILESCCC(C)CC(=O)NCCOCCBr
InChIInChI=1S/C10H20BrNO2/c1-3-9(2)8-10(13)12-5-7-14-6-4-11/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyVTLRWKFNJREZRJ-UHFFFAOYSA-N
XLogP1.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 51.95
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-[2-(2-hydroxyethoxy)ethyl]-3-methylpentanamide
CID 114875395
N-[2-[2-(2-bromoethoxy)ethoxy]ethyl]propanamide
CID 154729990
3-methyl-N-[2-oxo-2-[2-[2-[2-[2-(3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethylamino]ethyl]pentanamide
CID 145418064
3-methyl-N-[2-[2-[2-[3-(4-methylpentylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 168959082
N-(5-bromo-4-methylpentyl)-3-methylpentanamide
CID 106157951
3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 166662987
ethane;3-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]pentanamide;molecular hydrogen
CID 169215012
N-(2-ethoxyethyl)-3-methylbutanamide
CID 58439580
(3R)-N-(3-hydroxypropyl)-3-methylpentanamide
CID 173107720
3-methyl-N-(5-methylheptyl)pentanamide
CID 177365994
N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide
CID 129177572
3-methyl-N-[2-(2-oxobutoxy)ethyl]butanamide
CID 155077240

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromoethoxy)ethyl]-3-methylpentanamide?
The IUPAC name of N-[2-(2-bromoethoxy)ethyl]-3-methylpentanamide (CID 114876985) is N-[2-(2-bromoethoxy)ethyl]-3-methylpentanamide.
What is the SMILES notation for N-[2-(2-bromoethoxy)ethyl]-3-methylpentanamide?
The canonical SMILES for N-[2-(2-bromoethoxy)ethyl]-3-methylpentanamide is CCC(C)CC(=O)NCCOCCBr.
What is the InChIKey of N-[2-(2-bromoethoxy)ethyl]-3-methylpentanamide?
The InChIKey is VTLRWKFNJREZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2/c1-3-9(2)8-10(13)12-5-7-14-6-4-11/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N-[2-(2-bromoethoxy)ethyl]-3-methylpentanamide?
N-[2-(2-bromoethoxy)ethyl]-3-methylpentanamide has a molecular weight of 266.18 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromoethoxy)ethyl]-3-methylpentanamide is sourced from PubChem (CID 114876985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).