N-[2-(4-bromophenyl)ethyl]-N-methyl-3-(methylamino)propanamide

C13H19BrN2O — CID 115153366

IUPACN-[2-(4-bromophenyl)ethyl]-N-methyl-3-(methylamino)propanamide
SMILESCNCCC(=O)N(C)CCc1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O/c1-15-9-7-13(17)16(2)10-8-11-3-5-12(14)6-4-11/h3-6,15H,7-10H2,1-2H3
InChIKeyKQDKXJAFUAGSBS-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.06
Rot. Bonds6

About N-[2-(4-bromophenyl)ethyl]-N-methyl-3-(methylamino)propanamide

N-[2-(4-bromophenyl)ethyl]-N-methyl-3-(methylamino)propanamide (PubChem CID 115153366) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)ethyl]-N-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)ethyl]-N-methyl-3-(methylamino)propanamide
PubChem CID115153366
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN-[2-(4-bromophenyl)ethyl]-N-methyl-3-(methylamino)propanamide
SMILESCNCCC(=O)N(C)CCc1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O/c1-15-9-7-13(17)16(2)10-8-11-3-5-12(14)6-4-11/h3-6,15H,7-10H2,1-2H3
InChIKeyKQDKXJAFUAGSBS-UHFFFAOYSA-N
XLogP2.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(4-bromophenyl)propanoyl-methylamino]propanoic acid
CID 99849607
4-[3-[2-(4-bromophenyl)ethyl-methylamino]-3-oxopropyl]benzoic acid
CID 119184024
7-amino-N-[2-(4-bromophenyl)ethyl]-N-methylheptanamide
CID 119771019
N-[2-(4-fluorophenyl)ethyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119739080
N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158337
N-[2-(4-bromophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 119771057
3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide
CID 115155083
N-[2-(4-bromophenyl)ethyl]-2-(cyclopropylamino)-N-methylacetamide
CID 115158559
4-(4-bromophenyl)-N,N-dimethylbutanamide
CID 158418152
2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 120668214
3-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 54943632
2-amino-N-[2-(4-bromophenyl)ethyl]-N-methyl-2-phenylpropanamide
CID 120591489

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)ethyl]-N-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[2-(4-bromophenyl)ethyl]-N-methyl-3-(methylamino)propanamide (CID 115153366) is N-[2-(4-bromophenyl)ethyl]-N-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[2-(4-bromophenyl)ethyl]-N-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[2-(4-bromophenyl)ethyl]-N-methyl-3-(methylamino)propanamide is CNCCC(=O)N(C)CCc1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)ethyl]-N-methyl-3-(methylamino)propanamide?
The InChIKey is KQDKXJAFUAGSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-15-9-7-13(17)16(2)10-8-11-3-5-12(14)6-4-11/h3-6,15H,7-10H2,1-2H3.
What are the key properties of N-[2-(4-bromophenyl)ethyl]-N-methyl-3-(methylamino)propanamide?
N-[2-(4-bromophenyl)ethyl]-N-methyl-3-(methylamino)propanamide has a molecular weight of 299.21 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)ethyl]-N-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 115153366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).