(2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(4-bromophenyl)methyl]-N-methylpropanamide

C14H20BrN3O2 — CID 94453902

IUPAC(2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(4-bromophenyl)methyl]-N-methylpropanamide
SMILESC[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)CC(N)=O
InChIInChI=1S/C14H20BrN3O2/c1-10(17(2)9-13(16)19)14(20)18(3)8-11-4-6-12(15)7-5-11/h4-7,10H,8-9H2,1-3H3,(H2,16,19)/t10-/m1/s1
InChIKeyBOMZRKYFUWLLOR-SNVBAGLBSA-N
MW342.24 g/mol
LogP1.21
Rot. Bonds6

About (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(4-bromophenyl)methyl]-N-methylpropanamide

(2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(4-bromophenyl)methyl]-N-methylpropanamide (PubChem CID 94453902) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(4-bromophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(4-bromophenyl)methyl]-N-methylpropanamide
PubChem CID94453902
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name(2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(4-bromophenyl)methyl]-N-methylpropanamide
SMILESC[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)CC(N)=O
InChIInChI=1S/C14H20BrN3O2/c1-10(17(2)9-13(16)19)14(20)18(3)8-11-4-6-12(15)7-5-11/h4-7,10H,8-9H2,1-3H3,(H2,16,19)/t10-/m1/s1
InChIKeyBOMZRKYFUWLLOR-SNVBAGLBSA-N
XLogP1.21
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
CID 94453979
2-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-3-methylpentanamide
CID 60963304
methyl 2-[(4-bromophenyl)methyl-methylamino]propanoate
CID 60705767
N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 79201773
2-amino-1-[(4-bromophenyl)methyl]-1-methylguanidine
CID 77053986
N-[(4-bromophenyl)methyl]-2-(dimethylamino)-N-methylacetamide
CID 103601047
3-amino-N-(2-amino-2-oxoethyl)-N-[(4-bromophenyl)methyl]-2-methoxypropanamide
CID 106112171
5-amino-N-[(4-bromophenyl)methyl]-N-methylhexanamide
CID 82851243
N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82132454
4-[[(2-bromo-3-methylbutanoyl)-methylamino]methyl]benzamide
CID 54875292
N-[(4-bromophenyl)methyl]-N-methyl-3-phenyl-2-sulfanylpropanamide
CID 107024282
N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide
CID 60921311

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(4-bromophenyl)methyl]-N-methylpropanamide?
The IUPAC name of (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(4-bromophenyl)methyl]-N-methylpropanamide (CID 94453902) is (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(4-bromophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(4-bromophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(4-bromophenyl)methyl]-N-methylpropanamide is C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N(C)CC(N)=O.
What is the InChIKey of (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(4-bromophenyl)methyl]-N-methylpropanamide?
The InChIKey is BOMZRKYFUWLLOR-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-10(17(2)9-13(16)19)14(20)18(3)8-11-4-6-12(15)7-5-11/h4-7,10H,8-9H2,1-3H3,(H2,16,19)/t10-/m1/s1.
What are the key properties of (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(4-bromophenyl)methyl]-N-methylpropanamide?
(2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(4-bromophenyl)methyl]-N-methylpropanamide has a molecular weight of 342.24 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(4-bromophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 94453902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).