2-(3-bromopropoxy)-N-butyl-N-methylacetamide

C10H20BrNO2 — CID 22672762

IUPAC2-(3-bromopropoxy)-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)COCCCBr
InChIInChI=1S/C10H20BrNO2/c1-3-4-7-12(2)10(13)9-14-8-5-6-11/h3-9H2,1-2H3
InChIKeyYCHUUKWBSSYLHM-UHFFFAOYSA-N
MW266.18 g/mol
LogP2.05
Rot. Bonds8

About 2-(3-bromopropoxy)-N-butyl-N-methylacetamide

2-(3-bromopropoxy)-N-butyl-N-methylacetamide (PubChem CID 22672762) has the molecular formula C10H20BrNO2 and a molecular weight of 266.18 g/mol. Its IUPAC name is 2-(3-bromopropoxy)-N-butyl-N-methylacetamide.

Molecular Properties

Compound Name2-(3-bromopropoxy)-N-butyl-N-methylacetamide
PubChem CID22672762
Molecular FormulaC10H20BrNO2
Molecular Weight266.18 g/mol
Exact Mass265.07
IUPAC Name2-(3-bromopropoxy)-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)COCCCBr
InChIInChI=1S/C10H20BrNO2/c1-3-4-7-12(2)10(13)9-14-8-5-6-11/h3-9H2,1-2H3
InChIKeyYCHUUKWBSSYLHM-UHFFFAOYSA-N
XLogP2.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 52.05
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropoxy)-N-butyl-N-methylacetamide?
The IUPAC name of 2-(3-bromopropoxy)-N-butyl-N-methylacetamide (CID 22672762) is 2-(3-bromopropoxy)-N-butyl-N-methylacetamide.
What is the SMILES notation for 2-(3-bromopropoxy)-N-butyl-N-methylacetamide?
The canonical SMILES for 2-(3-bromopropoxy)-N-butyl-N-methylacetamide is CCCCN(C)C(=O)COCCCBr.
What is the InChIKey of 2-(3-bromopropoxy)-N-butyl-N-methylacetamide?
The InChIKey is YCHUUKWBSSYLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2/c1-3-4-7-12(2)10(13)9-14-8-5-6-11/h3-9H2,1-2H3.
What are the key properties of 2-(3-bromopropoxy)-N-butyl-N-methylacetamide?
2-(3-bromopropoxy)-N-butyl-N-methylacetamide has a molecular weight of 266.18 g/mol, XLogP of 2.05, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropoxy)-N-butyl-N-methylacetamide is sourced from PubChem (CID 22672762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).