2-bromo-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide

C10H20BrNO3 — CID 106309578

IUPAC2-bromo-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)NCCCOCCO
InChIInChI=1S/C10H20BrNO3/c1-8(2)9(11)10(14)12-4-3-6-15-7-5-13/h8-9,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyLNXFGQCVTWJBBQ-UHFFFAOYSA-N
MW282.18 g/mol
LogP0.92
Rot. Bonds8

About 2-bromo-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide

2-bromo-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide (PubChem CID 106309578) has the molecular formula C10H20BrNO3 and a molecular weight of 282.18 g/mol. Its IUPAC name is 2-bromo-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-bromo-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide
PubChem CID106309578
Molecular FormulaC10H20BrNO3
Molecular Weight282.18 g/mol
Exact Mass281.06
IUPAC Name2-bromo-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide
SMILESCC(C)C(Br)C(=O)NCCCOCCO
InChIInChI=1S/C10H20BrNO3/c1-8(2)9(11)10(14)12-4-3-6-15-7-5-13/h8-9,13H,3-7H2,1-2H3,(H,12,14)
InChIKeyLNXFGQCVTWJBBQ-UHFFFAOYSA-N
XLogP0.92
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 50.92
H-Bond Donors ≤ 52
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

2-bromo-N-(3-butoxypropyl)-3-methylbutanamide
CID 115649429
3-[3-(2-hydroxyethoxy)propylamino]-2-methyl-3-oxopropanoic acid
CID 106307494
2-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide
CID 106310631
3-amino-4-[3-(2-hydroxyethoxy)propylamino]-4-oxobutanoic acid
CID 106310522
2-(azepan-1-yl)-N-[3-(2-hydroxyethoxy)propyl]propanamide
CID 110024044
4-(2-aminoethyl)-N-[3-(2-hydroxyethoxy)propyl]-5-methylhexanamide
CID 106310740
5-amino-N-[3-(2-hydroxyethoxy)propyl]-4-methylpentanamide
CID 106310722
(2S)-2-amino-N-[3-(2-hydroxyethoxy)propyl]-3-phenylpropanamide
CID 106310662
(2R)-2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 78973371
2-amino-N-[2-(2-hydroxyethoxy)ethyl]propanamide
CID 61275223
3-[3-(2-hydroxyethoxy)propylamino]-3-oxopropanoic acid
CID 104889411
tert-butyl N-[3-[3-(2-hydroxyethoxy)propoxy]propyl]carbamate
CID 170396361

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide?
The IUPAC name of 2-bromo-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide (CID 106309578) is 2-bromo-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide.
What is the SMILES notation for 2-bromo-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide?
The canonical SMILES for 2-bromo-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide is CC(C)C(Br)C(=O)NCCCOCCO.
What is the InChIKey of 2-bromo-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide?
The InChIKey is LNXFGQCVTWJBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO3/c1-8(2)9(11)10(14)12-4-3-6-15-7-5-13/h8-9,13H,3-7H2,1-2H3,(H,12,14).
What are the key properties of 2-bromo-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide?
2-bromo-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide has a molecular weight of 282.18 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide is sourced from PubChem (CID 106309578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).