N-[2-(4-bromophenoxy)ethyl]-2-[butyl(methyl)amino]-N-methylacetamide

C16H25BrN2O2 — CID 56827978

IUPACN-[2-(4-bromophenoxy)ethyl]-2-[butyl(methyl)amino]-N-methylacetamide
SMILESCCCCN(C)CC(=O)N(C)CCOc1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O2/c1-4-5-10-18(2)13-16(20)19(3)11-12-21-15-8-6-14(17)7-9-15/h6-9H,4-5,10-13H2,1-3H3
InChIKeyBHCVHBJPTGMTRI-UHFFFAOYSA-N
MW357.29 g/mol
LogP3.02
Rot. Bonds9

About N-[2-(4-bromophenoxy)ethyl]-2-[butyl(methyl)amino]-N-methylacetamide

N-[2-(4-bromophenoxy)ethyl]-2-[butyl(methyl)amino]-N-methylacetamide (PubChem CID 56827978) has the molecular formula C16H25BrN2O2 and a molecular weight of 357.29 g/mol. Its IUPAC name is N-[2-(4-bromophenoxy)ethyl]-2-[butyl(methyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(4-bromophenoxy)ethyl]-2-[butyl(methyl)amino]-N-methylacetamide
PubChem CID56827978
Molecular FormulaC16H25BrN2O2
Molecular Weight357.29 g/mol
Exact Mass356.11
IUPAC NameN-[2-(4-bromophenoxy)ethyl]-2-[butyl(methyl)amino]-N-methylacetamide
SMILESCCCCN(C)CC(=O)N(C)CCOc1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O2/c1-4-5-10-18(2)13-16(20)19(3)11-12-21-15-8-6-14(17)7-9-15/h6-9H,4-5,10-13H2,1-3H3
InChIKeyBHCVHBJPTGMTRI-UHFFFAOYSA-N
XLogP3.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromophenoxy)ethyl]-N-methylbutanamide
CID 60629006
N-butyl-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 86907760
(2S)-2-amino-N-[2-(4-bromophenoxy)ethyl]-N-methylpentanamide
CID 93367597
N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 86909745
N-[2-(4-bromophenoxy)ethyl]-2-(2-chlorophenyl)-N-methylacetamide
CID 112793922
2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpentanamide
CID 60937668
2-amino-N-[2-(4-bromophenoxy)ethyl]-N,2-dimethylpropanamide
CID 61266801
N-[2-(4-bromophenoxy)ethyl]-N-methylcyclopropanecarboxamide
CID 60629010
2-[3-(4-bromophenoxy)propanoyl-propylamino]acetic acid
CID 61008318
N-[2-(4-bromophenoxy)ethyl]-N-methyl-2-(4-nitrophenoxy)acetamide
CID 27811305
2-(N-acetyl-4-bromoanilino)-N-butyl-N-methylacetamide
CID 113172969
N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide
CID 110487595

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenoxy)ethyl]-2-[butyl(methyl)amino]-N-methylacetamide?
The IUPAC name of N-[2-(4-bromophenoxy)ethyl]-2-[butyl(methyl)amino]-N-methylacetamide (CID 56827978) is N-[2-(4-bromophenoxy)ethyl]-2-[butyl(methyl)amino]-N-methylacetamide.
What is the SMILES notation for N-[2-(4-bromophenoxy)ethyl]-2-[butyl(methyl)amino]-N-methylacetamide?
The canonical SMILES for N-[2-(4-bromophenoxy)ethyl]-2-[butyl(methyl)amino]-N-methylacetamide is CCCCN(C)CC(=O)N(C)CCOc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenoxy)ethyl]-2-[butyl(methyl)amino]-N-methylacetamide?
The InChIKey is BHCVHBJPTGMTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O2/c1-4-5-10-18(2)13-16(20)19(3)11-12-21-15-8-6-14(17)7-9-15/h6-9H,4-5,10-13H2,1-3H3.
What are the key properties of N-[2-(4-bromophenoxy)ethyl]-2-[butyl(methyl)amino]-N-methylacetamide?
N-[2-(4-bromophenoxy)ethyl]-2-[butyl(methyl)amino]-N-methylacetamide has a molecular weight of 357.29 g/mol, XLogP of 3.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenoxy)ethyl]-2-[butyl(methyl)amino]-N-methylacetamide is sourced from PubChem (CID 56827978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).