N-(4-bromo-1-methoxybutan-2-yl)pentanamide

C10H20BrNO2 — CID 106156486

IUPACN-(4-bromo-1-methoxybutan-2-yl)pentanamide
SMILESCCCCC(=O)NC(CCBr)COC
InChIInChI=1S/C10H20BrNO2/c1-3-4-5-10(13)12-9(6-7-11)8-14-2/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyBXCHDOHLDJFVAL-UHFFFAOYSA-N
MW266.18 g/mol
LogP2.09
Rot. Bonds8

About N-(4-bromo-1-methoxybutan-2-yl)pentanamide

N-(4-bromo-1-methoxybutan-2-yl)pentanamide (PubChem CID 106156486) has the molecular formula C10H20BrNO2 and a molecular weight of 266.18 g/mol. Its IUPAC name is N-(4-bromo-1-methoxybutan-2-yl)pentanamide.

Molecular Properties

Compound NameN-(4-bromo-1-methoxybutan-2-yl)pentanamide
PubChem CID106156486
Molecular FormulaC10H20BrNO2
Molecular Weight266.18 g/mol
Exact Mass265.07
IUPAC NameN-(4-bromo-1-methoxybutan-2-yl)pentanamide
SMILESCCCCC(=O)NC(CCBr)COC
InChIInChI=1S/C10H20BrNO2/c1-3-4-5-10(13)12-9(6-7-11)8-14-2/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyBXCHDOHLDJFVAL-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.18
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-bromo-1-methoxybutan-2-yl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-1-methoxybutan-2-yl)-3,3-dimethylbutanamide
CID 106155980
N-(4-bromo-1-methoxybutan-2-yl)-3-cyclohexylpropanamide
CID 114151280
N-(4-bromo-1-methoxybutan-2-yl)-2-cyclobutylacetamide
CID 106156450
N-(1-methoxypentan-2-yl)-2-propoxyacetamide
CID 107941725
N-octan-4-ylpentanamide
CID 91803774
N-(4-bromo-1-methoxybutan-2-yl)-2-(1-methoxycyclobutyl)acetamide
CID 106156097
N-(1,4-diethoxybutan-2-yl)heptanamide
CID 166684479
N-(4-bromo-1-methoxybutan-2-yl)-2-(3,4-dimethylphenyl)acetamide
CID 114151246
4-[(4-hydroxy-1-methoxybutan-2-yl)amino]-4-oxobutanoic acid
CID 106155382
N-(1-bromo-4-methylpentan-3-yl)hexanamide
CID 106355062
N-(4-bromo-1-methoxybutan-2-yl)-1-ethylcyclopentane-1-carboxamide
CID 106156254
N-(4-bromo-1-methoxybutan-2-yl)-2,3,4,5,6-pentafluorobenzamide
CID 106156113

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1-methoxybutan-2-yl)pentanamide?
The IUPAC name of N-(4-bromo-1-methoxybutan-2-yl)pentanamide (CID 106156486) is N-(4-bromo-1-methoxybutan-2-yl)pentanamide.
What is the SMILES notation for N-(4-bromo-1-methoxybutan-2-yl)pentanamide?
The canonical SMILES for N-(4-bromo-1-methoxybutan-2-yl)pentanamide is CCCCC(=O)NC(CCBr)COC.
What is the InChIKey of N-(4-bromo-1-methoxybutan-2-yl)pentanamide?
The InChIKey is BXCHDOHLDJFVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO2/c1-3-4-5-10(13)12-9(6-7-11)8-14-2/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of N-(4-bromo-1-methoxybutan-2-yl)pentanamide?
N-(4-bromo-1-methoxybutan-2-yl)pentanamide has a molecular weight of 266.18 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1-methoxybutan-2-yl)pentanamide is sourced from PubChem (CID 106156486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).