N-(3-amino-4-methylpentyl)-2-(4-bromophenoxy)-N-methylacetamide

C15H23BrN2O2 — CID 119657814

IUPACN-(3-amino-4-methylpentyl)-2-(4-bromophenoxy)-N-methylacetamide
SMILESCC(C)C(N)CCN(C)C(=O)COc1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O2/c1-11(2)14(17)8-9-18(3)15(19)10-20-13-6-4-12(16)5-7-13/h4-7,11,14H,8-10,17H2,1-3H3
InChIKeyKXELXBYTHCTDAK-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.66
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-2-(4-bromophenoxy)-N-methylacetamide

N-(3-amino-4-methylpentyl)-2-(4-bromophenoxy)-N-methylacetamide (PubChem CID 119657814) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-(4-bromophenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2-(4-bromophenoxy)-N-methylacetamide
PubChem CID119657814
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC NameN-(3-amino-4-methylpentyl)-2-(4-bromophenoxy)-N-methylacetamide
SMILESCC(C)C(N)CCN(C)C(=O)COc1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O2/c1-11(2)14(17)8-9-18(3)15(19)10-20-13-6-4-12(16)5-7-13/h4-7,11,14H,8-10,17H2,1-3H3
InChIKeyKXELXBYTHCTDAK-UHFFFAOYSA-N
XLogP2.66
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-2-phenoxyacetamide
CID 81485024
N-(3-amino-4-methylpentyl)-2-(4-fluorophenoxy)-N-methylacetamide;hydrochloride
CID 119657243
N-(3-amino-4-methylpentyl)-2-(3,4-dimethylphenoxy)-N-methylacetamide
CID 119658373
N-(3-amino-4-methylpentyl)-N-methyl-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119658198
2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N-propan-2-ylacetamide
CID 9475634
N-(3-amino-4-methylpentyl)-N-methyl-2-propan-2-yloxyacetamide;hydrochloride
CID 119660231
N-(3-amino-4-methylpentyl)-N-methyl-3-(4-propoxyphenyl)propanamide;hydrochloride
CID 119659796
2-(3-bromophenoxy)-N-(3-hydroxybutyl)-N-methylacetamide
CID 115691544
N-(3-amino-4-methylpentyl)-3-(3,4-dimethylphenoxy)-N-methylpropanamide;hydrochloride
CID 119661117
2-[[2-(4-bromophenoxy)acetyl]-methylamino]-N,N-diethylacetamide
CID 78812720
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(4-nitrophenoxy)acetamide
CID 27811305
N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N-methyl-4-oxobutanamide
CID 119659123

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-(4-bromophenoxy)-N-methylacetamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-2-(4-bromophenoxy)-N-methylacetamide (CID 119657814) is N-(3-amino-4-methylpentyl)-2-(4-bromophenoxy)-N-methylacetamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-(4-bromophenoxy)-N-methylacetamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2-(4-bromophenoxy)-N-methylacetamide is CC(C)C(N)CCN(C)C(=O)COc1ccc(Br)cc1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2-(4-bromophenoxy)-N-methylacetamide?
The InChIKey is KXELXBYTHCTDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-11(2)14(17)8-9-18(3)15(19)10-20-13-6-4-12(16)5-7-13/h4-7,11,14H,8-10,17H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-2-(4-bromophenoxy)-N-methylacetamide?
N-(3-amino-4-methylpentyl)-2-(4-bromophenoxy)-N-methylacetamide has a molecular weight of 343.27 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-2-(4-bromophenoxy)-N-methylacetamide is sourced from PubChem (CID 119657814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).