N-(2-bromoethyl)-N,3-dimethyl-2-phenylpentanamide

C15H22BrNO — CID 80658652

IUPACN-(2-bromoethyl)-N,3-dimethyl-2-phenylpentanamide
SMILESCCC(C)C(C(=O)N(C)CCBr)c1ccccc1
InChIInChI=1S/C15H22BrNO/c1-4-12(2)14(13-8-6-5-7-9-13)15(18)17(3)11-10-16/h5-9,12,14H,4,10-11H2,1-3H3
InChIKeyMTLAAQPYRHOCAJ-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.67
Rot. Bonds6

About N-(2-bromoethyl)-N,3-dimethyl-2-phenylpentanamide

N-(2-bromoethyl)-N,3-dimethyl-2-phenylpentanamide (PubChem CID 80658652) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-(2-bromoethyl)-N,3-dimethyl-2-phenylpentanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N,3-dimethyl-2-phenylpentanamide
PubChem CID80658652
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-(2-bromoethyl)-N,3-dimethyl-2-phenylpentanamide
SMILESCCC(C)C(C(=O)N(C)CCBr)c1ccccc1
InChIInChI=1S/C15H22BrNO/c1-4-12(2)14(13-8-6-5-7-9-13)15(18)17(3)11-10-16/h5-9,12,14H,4,10-11H2,1-3H3
InChIKeyMTLAAQPYRHOCAJ-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[methyl-(3-methyl-2-phenylpentanoyl)amino]propanoic acid
CID 60990079
N-(2-hydroxypropyl)-N,3-dimethyl-2-phenylpentanamide
CID 62335322
N-(5-chloropentyl)-N,3-dimethyl-2-phenylpentanamide
CID 107205692
2-[ethyl-(3-methyl-2-phenylpentanoyl)amino]acetic acid
CID 61021604
N-cyclobutyl-N-(2-hydroxyethyl)-3-methyl-2-phenylpentanamide
CID 102867408
N-(1-bromopropan-2-yl)-3-methyl-2-phenylpentanamide
CID 114310573
N,3-dimethyl-2-phenyl-N-piperidin-4-ylpentanamide
CID 43602183
5-methyl-4-phenylhept-1-yn-3-one
CID 114978498
N-(2-bromoethyl)-N,2-dimethylbutanamide
CID 80658346
N-methyl-N-pentyl-2-phenylpropanamide
CID 90809964
bis[2-(diethylamino)ethyl] 2,3-diphenylbutanedioate
CID 3060795
tert-butyl 3-methyl-2-phenylpentanoate
CID 63896641

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N,3-dimethyl-2-phenylpentanamide?
The IUPAC name of N-(2-bromoethyl)-N,3-dimethyl-2-phenylpentanamide (CID 80658652) is N-(2-bromoethyl)-N,3-dimethyl-2-phenylpentanamide.
What is the SMILES notation for N-(2-bromoethyl)-N,3-dimethyl-2-phenylpentanamide?
The canonical SMILES for N-(2-bromoethyl)-N,3-dimethyl-2-phenylpentanamide is CCC(C)C(C(=O)N(C)CCBr)c1ccccc1.
What is the InChIKey of N-(2-bromoethyl)-N,3-dimethyl-2-phenylpentanamide?
The InChIKey is MTLAAQPYRHOCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-4-12(2)14(13-8-6-5-7-9-13)15(18)17(3)11-10-16/h5-9,12,14H,4,10-11H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-N,3-dimethyl-2-phenylpentanamide?
N-(2-bromoethyl)-N,3-dimethyl-2-phenylpentanamide has a molecular weight of 312.25 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N,3-dimethyl-2-phenylpentanamide is sourced from PubChem (CID 80658652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).