(2S)-2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-3-phenylpropanamide

C15H17BrN2O2 — CID 61165317

IUPAC(2S)-2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-3-phenylpropanamide
SMILESCN(Cc1ccc(Br)o1)C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C15H17BrN2O2/c1-18(10-12-7-8-14(16)20-12)15(19)13(17)9-11-5-3-2-4-6-11/h2-8,13H,9-10,17H2,1H3/t13-/m0/s1
InChIKeyMZEABQZQSGLABH-ZDUSSCGKSA-N
MW337.22 g/mol
LogP2.57
Rot. Bonds5

About (2S)-2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-3-phenylpropanamide

(2S)-2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-3-phenylpropanamide (PubChem CID 61165317) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is (2S)-2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-3-phenylpropanamide
PubChem CID61165317
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name(2S)-2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-3-phenylpropanamide
SMILESCN(Cc1ccc(Br)o1)C(=O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C15H17BrN2O2/c1-18(10-12-7-8-14(16)20-12)15(19)13(17)9-11-5-3-2-4-6-11/h2-8,13H,9-10,17H2,1H3/t13-/m0/s1
InChIKeyMZEABQZQSGLABH-ZDUSSCGKSA-N
XLogP2.57
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-[(5-bromofuran-2-yl)methyl-methylamino]-4-oxobutanoic acid
CID 64896124
(2S)-2-amino-N-(furan-2-ylmethyl)-N-methyl-3-phenylpropanamide;hydrochloride
CID 119958302
2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfonylbutanamide
CID 54873405
3-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-2-phenylpropanamide
CID 62877834
(2S)-2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 61162616
N-benzyl-2-[(5-bromofuran-2-yl)methyl-methylamino]-N-methylpropanamide
CID 86984192
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932
(2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119266895
(2R)-2-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-phenylpropanamide
CID 97324897
1-[(5-bromofuran-2-yl)methyl]-1-methylurea
CID 131134231
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352
(2S)-2-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-phenylpropanamide
CID 28802517

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-3-phenylpropanamide (CID 61165317) is (2S)-2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-3-phenylpropanamide is CN(Cc1ccc(Br)o1)C(=O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-3-phenylpropanamide?
The InChIKey is MZEABQZQSGLABH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-18(10-12-7-8-14(16)20-12)15(19)13(17)9-11-5-3-2-4-6-11/h2-8,13H,9-10,17H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-3-phenylpropanamide?
(2S)-2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-3-phenylpropanamide has a molecular weight of 337.22 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 61165317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).