2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide

C13H19BrN2O — CID 81360050

IUPAC2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O/c1-4-15-13(17)10(3)16-9(2)11-5-7-12(14)8-6-11/h5-10,16H,4H2,1-3H3,(H,15,17)/t9-,10?/m0/s1
InChIKeyUUPGYMAQGMXWQG-RGURZIINSA-N
MW299.21 g/mol
LogP2.62
Rot. Bonds5

About 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide

2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide (PubChem CID 81360050) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide
PubChem CID81360050
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O/c1-4-15-13(17)10(3)16-9(2)11-5-7-12(14)8-6-11/h5-10,16H,4H2,1-3H3,(H,15,17)/t9-,10?/m0/s1
InChIKeyUUPGYMAQGMXWQG-RGURZIINSA-N
XLogP2.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide
CID 81359950
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-ethylpropanamide
CID 81352154
N-ethyl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78952919
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxyethyl)propanamide
CID 81359885
(2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide
CID 103740453
2-[1-(4-bromophenyl)ethylamino]-N-propan-2-ylpropanamide
CID 60654137
2-[1-(3,5-dimethylphenyl)ethylamino]-N-ethylpropanamide
CID 81301009
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
CID 81360045
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-carbamoylpropanamide
CID 81360131
4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 51464444
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 81359398
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide
CID 81357170

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide?
The IUPAC name of 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide (CID 81360050) is 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide?
The canonical SMILES for 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide is CCNC(=O)C(C)N[C@@H](C)c1ccc(Br)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide?
The InChIKey is UUPGYMAQGMXWQG-RGURZIINSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-4-15-13(17)10(3)16-9(2)11-5-7-12(14)8-6-11/h5-10,16H,4H2,1-3H3,(H,15,17)/t9-,10?/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide?
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide has a molecular weight of 299.21 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 81360050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).