(2S)-2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide

C19H23BrN2O2 — CID 51925556

IUPAC(2S)-2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O2/c1-12-5-10-18(24-4)17(11-12)22-19(23)14(3)21-13(2)15-6-8-16(20)9-7-15/h5-11,13-14,21H,1-4H3,(H,22,23)/t13-,14-/m0/s1
InChIKeySMRRDNWVGJSIGV-KBPBESRZSA-N
MW391.31 g/mol
LogP4.44
Rot. Bonds6

About (2S)-2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide

(2S)-2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide (PubChem CID 51925556) has the molecular formula C19H23BrN2O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is (2S)-2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide
PubChem CID51925556
Molecular FormulaC19H23BrN2O2
Molecular Weight391.31 g/mol
Exact Mass390.09
IUPAC Name(2S)-2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(Br)cc1
InChIInChI=1S/C19H23BrN2O2/c1-12-5-10-18(24-4)17(11-12)22-19(23)14(3)21-13(2)15-6-8-16(20)9-7-15/h5-11,13-14,21H,1-4H3,(H,22,23)/t13-,14-/m0/s1
InChIKeySMRRDNWVGJSIGV-KBPBESRZSA-N
XLogP4.44
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide 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

[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 4-bromobenzoate
CID 55418016
N-(5-chloro-2-methoxyphenyl)-2-[1-(4-methoxyphenyl)ethylamino]propanamide
CID 166198122
1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 17284854
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzamide
CID 60666490
N-(2,4-dimethylphenyl)-2-[1-(2-methoxy-5-methylphenyl)ethylamino]propanamide
CID 51244084
(2R)-2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-ethoxyphenyl)propanamide
CID 51925561
(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 7962614
(2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide
CID 103740453
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide
CID 81357170
phenyl N-[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl]carbamate
CID 126009593
(2S)-N-(2,4-dimethylphenyl)-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 9248607

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide?
The IUPAC name of (2S)-2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide (CID 51925556) is (2S)-2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide is COc1ccc(C)cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(Br)cc1.
What is the InChIKey of (2S)-2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide?
The InChIKey is SMRRDNWVGJSIGV-KBPBESRZSA-N. The full InChI is InChI=1S/C19H23BrN2O2/c1-12-5-10-18(24-4)17(11-12)22-19(23)14(3)21-13(2)15-6-8-16(20)9-7-15/h5-11,13-14,21H,1-4H3,(H,22,23)/t13-,14-/m0/s1.
What are the key properties of (2S)-2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide?
(2S)-2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide has a molecular weight of 391.31 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 51925556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).