N-(2-bromopropyl)-N-methyloctanamide

C12H24BrNO — CID 80665103

IUPACN-(2-bromopropyl)-N-methyloctanamide
SMILESCCCCCCCC(=O)N(C)CC(C)Br
InChIInChI=1S/C12H24BrNO/c1-4-5-6-7-8-9-12(15)14(3)10-11(2)13/h11H,4-10H2,1-3H3
InChIKeyJCBQGXAFAXBQAS-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.59
Rot. Bonds8

About N-(2-bromopropyl)-N-methyloctanamide

N-(2-bromopropyl)-N-methyloctanamide (PubChem CID 80665103) has the molecular formula C12H24BrNO and a molecular weight of 278.23 g/mol. Its IUPAC name is N-(2-bromopropyl)-N-methyloctanamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-N-methyloctanamide
PubChem CID80665103
Molecular FormulaC12H24BrNO
Molecular Weight278.23 g/mol
Exact Mass277.10
IUPAC NameN-(2-bromopropyl)-N-methyloctanamide
SMILESCCCCCCCC(=O)N(C)CC(C)Br
InChIInChI=1S/C12H24BrNO/c1-4-5-6-7-8-9-12(15)14(3)10-11(2)13/h11H,4-10H2,1-3H3
InChIKeyJCBQGXAFAXBQAS-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2-bromopropyl)-N-methylpentanamide
CID 80666538
2-methyl-3-[methyl(nonanoyl)amino]propanoic acid
CID 55008354
N-(2-chloropropyl)-N-methylhexanamide
CID 63394168
N-(3-amino-2-methylpropyl)-N-methyldecanamide
CID 65448907
N-(2-bromo-3-methoxypropyl)-N-methyldecanamide
CID 80671744
N-(2-cyanopropyl)-N-methylheptanamide
CID 115593392
N-(2-bromopropyl)-N-methylpropanamide
CID 80665081
N-methyl-N-octylheptacosanamide
CID 87394998
N-methyl-N-octylnonanamide
CID 140654825
N-(2-hydroxy-3-methoxypropyl)-N-methyldecanamide
CID 54993682
N,N-bis(2-hydroxypropyl)docosanamide
CID 102118847
N-methyl-N-[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]decanamide
CID 95566073

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-N-methyloctanamide?
The IUPAC name of N-(2-bromopropyl)-N-methyloctanamide (CID 80665103) is N-(2-bromopropyl)-N-methyloctanamide.
What is the SMILES notation for N-(2-bromopropyl)-N-methyloctanamide?
The canonical SMILES for N-(2-bromopropyl)-N-methyloctanamide is CCCCCCCC(=O)N(C)CC(C)Br.
What is the InChIKey of N-(2-bromopropyl)-N-methyloctanamide?
The InChIKey is JCBQGXAFAXBQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO/c1-4-5-6-7-8-9-12(15)14(3)10-11(2)13/h11H,4-10H2,1-3H3.
What are the key properties of N-(2-bromopropyl)-N-methyloctanamide?
N-(2-bromopropyl)-N-methyloctanamide has a molecular weight of 278.23 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-N-methyloctanamide is sourced from PubChem (CID 80665103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).