N-[1-(2-bromophenyl)ethyl]-2-methyl-2-(methylamino)-N-propylpropanamide

C16H25BrN2O — CID 62845983

IUPACN-[1-(2-bromophenyl)ethyl]-2-methyl-2-(methylamino)-N-propylpropanamide
SMILESCCCN(C(=O)C(C)(C)NC)C(C)c1ccccc1Br
InChIInChI=1S/C16H25BrN2O/c1-6-11-19(15(20)16(3,4)18-5)12(2)13-9-7-8-10-14(13)17/h7-10,12,18H,6,11H2,1-5H3
InChIKeyRYGNOBHFOMQGTR-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.75
Rot. Bonds6

About N-[1-(2-bromophenyl)ethyl]-2-methyl-2-(methylamino)-N-propylpropanamide

N-[1-(2-bromophenyl)ethyl]-2-methyl-2-(methylamino)-N-propylpropanamide (PubChem CID 62845983) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-2-methyl-2-(methylamino)-N-propylpropanamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-2-methyl-2-(methylamino)-N-propylpropanamide
PubChem CID62845983
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC NameN-[1-(2-bromophenyl)ethyl]-2-methyl-2-(methylamino)-N-propylpropanamide
SMILESCCCN(C(=O)C(C)(C)NC)C(C)c1ccccc1Br
InChIInChI=1S/C16H25BrN2O/c1-6-11-19(15(20)16(3,4)18-5)12(2)13-9-7-8-10-14(13)17/h7-10,12,18H,6,11H2,1-5H3
InChIKeyRYGNOBHFOMQGTR-UHFFFAOYSA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methyl-N-propylpropanamide
CID 114328209
N-[1-(2-bromophenyl)ethyl]-N-propylacetamide
CID 60778873
2-amino-N-[1-(2-bromophenyl)ethyl]-N-propylcyclopropane-1-carboxamide
CID 55035536
N-[1-(2-bromophenyl)ethyl]-3-methylsulfonyl-N-propylpropanamide
CID 87025496
N-[1-(2-bromophenyl)ethyl]-2-(cyclopropylmethylamino)-N-propylacetamide
CID 60946925
1-[(1R)-1-(2-bromophenyl)ethyl]-3-(2-methoxyphenyl)-1-propylurea
CID 51954766
4-(acetamidomethyl)-N-[1-(2-bromophenyl)ethyl]-N-propylbenzamide
CID 55750869
2-[1-(2-bromophenyl)ethyl-propylamino]-N-ethylacetamide
CID 60505772
2-(azetidin-3-ylidene)-N-[1-(2-bromophenyl)ethyl]-N-propylpropanamide
CID 116676511
3-[1-(2-bromophenyl)ethyl-propylamino]-N-(methylcarbamoyl)propanamide
CID 60505858
N-[1-(2-bromophenyl)ethyl]-N-propyl-1H-pyrazole-4-carboxamide
CID 60958671
N-[(1R)-1-(2-bromophenyl)ethyl]-6-methyl-N-propylpyridine-3-carboxamide
CID 52633198

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-methyl-2-(methylamino)-N-propylpropanamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-methyl-2-(methylamino)-N-propylpropanamide (CID 62845983) is N-[1-(2-bromophenyl)ethyl]-2-methyl-2-(methylamino)-N-propylpropanamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-2-methyl-2-(methylamino)-N-propylpropanamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-2-methyl-2-(methylamino)-N-propylpropanamide is CCCN(C(=O)C(C)(C)NC)C(C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-2-methyl-2-(methylamino)-N-propylpropanamide?
The InChIKey is RYGNOBHFOMQGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-6-11-19(15(20)16(3,4)18-5)12(2)13-9-7-8-10-14(13)17/h7-10,12,18H,6,11H2,1-5H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-2-methyl-2-(methylamino)-N-propylpropanamide?
N-[1-(2-bromophenyl)ethyl]-2-methyl-2-(methylamino)-N-propylpropanamide has a molecular weight of 341.29 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-2-methyl-2-(methylamino)-N-propylpropanamide is sourced from PubChem (CID 62845983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).