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

C19H23BrN2O2 — CID 51925561

IUPAC(2R)-2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O2/c1-4-24-18-8-6-5-7-17(18)22-19(23)14(3)21-13(2)15-9-11-16(20)12-10-15/h5-14,21H,4H2,1-3H3,(H,22,23)/t13-,14-/m1/s1
InChIKeyAUGLELXPNMLYIA-ZIAGYGMSSA-N
MW391.31 g/mol
LogP4.53
Rot. Bonds7

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

(2R)-2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-ethoxyphenyl)propanamide (PubChem CID 51925561) has the molecular formula C19H23BrN2O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is (2R)-2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-ethoxyphenyl)propanamide
PubChem CID51925561
Molecular FormulaC19H23BrN2O2
Molecular Weight391.31 g/mol
Exact Mass390.09
IUPAC Name(2R)-2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-ethoxyphenyl)propanamide
SMILESCCOc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O2/c1-4-24-18-8-6-5-7-17(18)22-19(23)14(3)21-13(2)15-9-11-16(20)12-10-15/h5-14,21H,4H2,1-3H3,(H,22,23)/t13-,14-/m1/s1
InChIKeyAUGLELXPNMLYIA-ZIAGYGMSSA-N
XLogP4.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 22691717
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(2-ethoxyphenyl)acetamide
CID 9263568
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide
CID 81360050
2-(4-ethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 51242376
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044
N-(2-ethoxyphenyl)-2-(3-methylanilino)propanamide
CID 51242335
(2R)-2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide
CID 1177379
(2S)-2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 51925556
2-(3-bromophenoxy)-N-(2-ethoxyphenyl)propanamide
CID 3670954
2-(4-bromo-3-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 46667035
(2S)-N-(2-methoxyphenyl)-2-[[(1S)-1-(4-sulfamoylphenyl)ethyl]amino]propanamide
CID 30825134

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-ethoxyphenyl)propanamide?
The IUPAC name of (2R)-2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-ethoxyphenyl)propanamide (CID 51925561) is (2R)-2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-ethoxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-ethoxyphenyl)propanamide?
The canonical SMILES for (2R)-2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-ethoxyphenyl)propanamide is CCOc1ccccc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(Br)cc1.
What is the InChIKey of (2R)-2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-ethoxyphenyl)propanamide?
The InChIKey is AUGLELXPNMLYIA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H23BrN2O2/c1-4-24-18-8-6-5-7-17(18)22-19(23)14(3)21-13(2)15-9-11-16(20)12-10-15/h5-14,21H,4H2,1-3H3,(H,22,23)/t13-,14-/m1/s1.
What are the key properties of (2R)-2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-ethoxyphenyl)propanamide?
(2R)-2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-ethoxyphenyl)propanamide has a molecular weight of 391.31 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-ethoxyphenyl)propanamide is sourced from PubChem (CID 51925561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).