N-(5-bromo-4-methylpentyl)-2-(oxolan-2-yl)acetamide

C12H22BrNO2 — CID 106157924

IUPACN-(5-bromo-4-methylpentyl)-2-(oxolan-2-yl)acetamide
SMILESCC(CBr)CCCNC(=O)CC1CCCO1
InChIInChI=1S/C12H22BrNO2/c1-10(9-13)4-2-6-14-12(15)8-11-5-3-7-16-11/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyPOLREUHIHSVRBT-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.48
Rot. Bonds7

About N-(5-bromo-4-methylpentyl)-2-(oxolan-2-yl)acetamide

N-(5-bromo-4-methylpentyl)-2-(oxolan-2-yl)acetamide (PubChem CID 106157924) has the molecular formula C12H22BrNO2 and a molecular weight of 292.22 g/mol. Its IUPAC name is N-(5-bromo-4-methylpentyl)-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-4-methylpentyl)-2-(oxolan-2-yl)acetamide
PubChem CID106157924
Molecular FormulaC12H22BrNO2
Molecular Weight292.22 g/mol
Exact Mass291.08
IUPAC NameN-(5-bromo-4-methylpentyl)-2-(oxolan-2-yl)acetamide
SMILESCC(CBr)CCCNC(=O)CC1CCCO1
InChIInChI=1S/C12H22BrNO2/c1-10(9-13)4-2-6-14-12(15)8-11-5-3-7-16-11/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyPOLREUHIHSVRBT-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.48
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-(5-bromopentyl)-2-(oxolan-2-yl)acetamide
CID 107321758
N-(5-bromo-4-methylpentyl)oxolane-2-carboxamide
CID 106158020
N-(2-methoxyethyl)-2-(oxolan-2-yl)acetamide
CID 110696561
N-(2-acetamidoethyl)-2-(oxolan-2-yl)acetamide
CID 110696614
2-(oxan-2-yl)-N-pentylacetamide
CID 110415818
N-(2-methoxyethyl)-2-(oxan-2-yl)acetamide
CID 110407614
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]acetamide
CID 63680867
N-[2-(2-bromoethyl)pentyl]-2-(oxolan-2-yl)acetamide
CID 106118076
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
N-[(2R)-4-methyl-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]pentyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95333344
2-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]propanamide
CID 107904862
4-[2-[[2-(oxolan-2-yl)acetyl]amino]ethyl]heptanoic acid
CID 65157479

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methylpentyl)-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-(5-bromo-4-methylpentyl)-2-(oxolan-2-yl)acetamide (CID 106157924) is N-(5-bromo-4-methylpentyl)-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-(5-bromo-4-methylpentyl)-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-(5-bromo-4-methylpentyl)-2-(oxolan-2-yl)acetamide is CC(CBr)CCCNC(=O)CC1CCCO1.
What is the InChIKey of N-(5-bromo-4-methylpentyl)-2-(oxolan-2-yl)acetamide?
The InChIKey is POLREUHIHSVRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO2/c1-10(9-13)4-2-6-14-12(15)8-11-5-3-7-16-11/h10-11H,2-9H2,1H3,(H,14,15).
What are the key properties of N-(5-bromo-4-methylpentyl)-2-(oxolan-2-yl)acetamide?
N-(5-bromo-4-methylpentyl)-2-(oxolan-2-yl)acetamide has a molecular weight of 292.22 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methylpentyl)-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 106157924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).