2-bromo-N-[2-(oxolan-2-yl)ethyl]butanamide

C10H18BrNO2 — CID 62856863

IUPAC2-bromo-N-[2-(oxolan-2-yl)ethyl]butanamide
SMILESCCC(Br)C(=O)NCCC1CCCO1
InChIInChI=1S/C10H18BrNO2/c1-2-9(11)10(13)12-6-5-8-4-3-7-14-8/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyTWPXZAMCALZJOV-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.85
Rot. Bonds5

About 2-bromo-N-[2-(oxolan-2-yl)ethyl]butanamide

2-bromo-N-[2-(oxolan-2-yl)ethyl]butanamide (PubChem CID 62856863) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is 2-bromo-N-[2-(oxolan-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-bromo-N-[2-(oxolan-2-yl)ethyl]butanamide
PubChem CID62856863
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC Name2-bromo-N-[2-(oxolan-2-yl)ethyl]butanamide
SMILESCCC(Br)C(=O)NCCC1CCCO1
InChIInChI=1S/C10H18BrNO2/c1-2-9(11)10(13)12-6-5-8-4-3-7-14-8/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyTWPXZAMCALZJOV-UHFFFAOYSA-N
XLogP1.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.85
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

(2R)-2-bromo-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 94882952
2-ethyl-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 110731236
(2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 107569103
(2R)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 103794477
3-(ethylamino)-2-methyl-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 62852036
methyl N-[2-(oxolan-2-yl)ethyl]carbamate
CID 110731266
(3S)-3-amino-4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoic acid
CID 67894474
2-bromo-N-(oxolan-2-ylmethyl)hexanamide
CID 110839202
2-amino-3-methoxy-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 81089453
methyl 4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoate
CID 110731234
4-hydroxy-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 79192350
3-(ethylamino)-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 62837285

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(oxolan-2-yl)ethyl]butanamide?
The IUPAC name of 2-bromo-N-[2-(oxolan-2-yl)ethyl]butanamide (CID 62856863) is 2-bromo-N-[2-(oxolan-2-yl)ethyl]butanamide.
What is the SMILES notation for 2-bromo-N-[2-(oxolan-2-yl)ethyl]butanamide?
The canonical SMILES for 2-bromo-N-[2-(oxolan-2-yl)ethyl]butanamide is CCC(Br)C(=O)NCCC1CCCO1.
What is the InChIKey of 2-bromo-N-[2-(oxolan-2-yl)ethyl]butanamide?
The InChIKey is TWPXZAMCALZJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2/c1-2-9(11)10(13)12-6-5-8-4-3-7-14-8/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-bromo-N-[2-(oxolan-2-yl)ethyl]butanamide?
2-bromo-N-[2-(oxolan-2-yl)ethyl]butanamide has a molecular weight of 264.16 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(oxolan-2-yl)ethyl]butanamide is sourced from PubChem (CID 62856863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).