2-bromo-2-methyl-N-(4-methylpent-4-enyl)propanamide

C10H18BrNO — CID 20815877

IUPAC2-bromo-2-methyl-N-(4-methylpent-4-enyl)propanamide
SMILESC=C(C)CCCNC(=O)C(C)(C)Br
InChIInChI=1S/C10H18BrNO/c1-8(2)6-5-7-12-9(13)10(3,4)11/h1,5-7H2,2-4H3,(H,12,13)
InChIKeyOTZQILAFYSUGQT-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.63
Rot. Bonds5

About 2-bromo-2-methyl-N-(4-methylpent-4-enyl)propanamide

2-bromo-2-methyl-N-(4-methylpent-4-enyl)propanamide (PubChem CID 20815877) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-(4-methylpent-4-enyl)propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-(4-methylpent-4-enyl)propanamide
PubChem CID20815877
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name2-bromo-2-methyl-N-(4-methylpent-4-enyl)propanamide
SMILESC=C(C)CCCNC(=O)C(C)(C)Br
InChIInChI=1S/C10H18BrNO/c1-8(2)6-5-7-12-9(13)10(3,4)11/h1,5-7H2,2-4H3,(H,12,13)
InChIKeyOTZQILAFYSUGQT-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-(4-methylpent-4-enyl)propanamide?
The IUPAC name of 2-bromo-2-methyl-N-(4-methylpent-4-enyl)propanamide (CID 20815877) is 2-bromo-2-methyl-N-(4-methylpent-4-enyl)propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-(4-methylpent-4-enyl)propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-(4-methylpent-4-enyl)propanamide is C=C(C)CCCNC(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-2-methyl-N-(4-methylpent-4-enyl)propanamide?
The InChIKey is OTZQILAFYSUGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-8(2)6-5-7-12-9(13)10(3,4)11/h1,5-7H2,2-4H3,(H,12,13).
What are the key properties of 2-bromo-2-methyl-N-(4-methylpent-4-enyl)propanamide?
2-bromo-2-methyl-N-(4-methylpent-4-enyl)propanamide has a molecular weight of 248.16 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-(4-methylpent-4-enyl)propanamide is sourced from PubChem (CID 20815877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).