2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide

C13H18BrN3O2 — CID 81359398

IUPAC2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrN3O2/c1-8(10-4-6-11(14)7-5-10)16-9(2)12(18)17-13(19)15-3/h4-9,16H,1-3H3,(H2,15,17,18,19)/t8-,9?/m1/s1
InChIKeyMYMIPERUAGLFIO-VEDVMXKPSA-N
MW328.21 g/mol
LogP1.94
Rot. Bonds4

About 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide

2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide (PubChem CID 81359398) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
PubChem CID81359398
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrN3O2/c1-8(10-4-6-11(14)7-5-10)16-9(2)12(18)17-13(19)15-3/h4-9,16H,1-3H3,(H2,15,17,18,19)/t8-,9?/m1/s1
InChIKeyMYMIPERUAGLFIO-VEDVMXKPSA-N
XLogP1.94
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide
CID 103740453
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-carbamoylpropanamide
CID 81360131
2-[1-(4-bromophenyl)ethylamino]-N-propan-2-ylpropanamide
CID 60654137
1-[(1S)-1-(4-bromophenyl)ethyl]-3-methylurea
CID 106831663
1-[(1R)-1-(4-bromophenyl)ethyl]-3-methylurea
CID 58762667
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylpropanamide
CID 81360045
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide
CID 81360050
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide
CID 81359950
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide
CID 81357170
(2S)-2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307503
(2R)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 9307505
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxyethyl)propanamide
CID 81359885

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide (CID 81359398) is 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)N[C@H](C)c1ccc(Br)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide?
The InChIKey is MYMIPERUAGLFIO-VEDVMXKPSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-8(10-4-6-11(14)7-5-10)16-9(2)12(18)17-13(19)15-3/h4-9,16H,1-3H3,(H2,15,17,18,19)/t8-,9?/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide?
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide has a molecular weight of 328.21 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 81359398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).