dimethyl-[[4-[[[(2S)-2-(3-methylphenoxy)propanoyl]amino]methyl]phenyl]methyl]azanium

C20H27N2O2+ — CID 9194529

IUPACdimethyl-[[4-[[[(2S)-2-(3-methylphenoxy)propanoyl]amino]methyl]phenyl]methyl]azanium
SMILESCc1cccc(O[C@@H](C)C(=O)NCc2ccc(C[NH+](C)C)cc2)c1
InChIInChI=1S/C20H26N2O2/c1-15-6-5-7-19(12-15)24-16(2)20(23)21-13-17-8-10-18(11-9-17)14-22(3)4/h5-12,16H,13-14H2,1-4H3,(H,21,23)/p+1/t16-/m0/s1
InChIKeyGNGUUNRFXZZPBN-INIZCTEOSA-O
MW327.45 g/mol
LogP1.72
Rot. Bonds7

About dimethyl-[[4-[[[(2S)-2-(3-methylphenoxy)propanoyl]amino]methyl]phenyl]methyl]azanium

dimethyl-[[4-[[[(2S)-2-(3-methylphenoxy)propanoyl]amino]methyl]phenyl]methyl]azanium (PubChem CID 9194529) has the molecular formula C20H27N2O2+ and a molecular weight of 327.45 g/mol. Its IUPAC name is dimethyl-[[4-[[[(2S)-2-(3-methylphenoxy)propanoyl]amino]methyl]phenyl]methyl]azanium.

Molecular Properties

Compound Namedimethyl-[[4-[[[(2S)-2-(3-methylphenoxy)propanoyl]amino]methyl]phenyl]methyl]azanium
PubChem CID9194529
Molecular FormulaC20H27N2O2+
Molecular Weight327.45 g/mol
Exact Mass327.21
IUPAC Namedimethyl-[[4-[[[(2S)-2-(3-methylphenoxy)propanoyl]amino]methyl]phenyl]methyl]azanium
SMILESCc1cccc(O[C@@H](C)C(=O)NCc2ccc(C[NH+](C)C)cc2)c1
InChIInChI=1S/C20H26N2O2/c1-15-6-5-7-19(12-15)24-16(2)20(23)21-13-17-8-10-18(11-9-17)14-22(3)4/h5-12,16H,13-14H2,1-4H3,(H,21,23)/p+1/t16-/m0/s1
InChIKeyGNGUUNRFXZZPBN-INIZCTEOSA-O
XLogP1.72
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze dimethyl-[[4-[[[(2S)-2-(3-methylphenoxy)propanoyl]amino]methyl]phenyl]methyl]azanium 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

[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] (2S)-2-(3-methylphenoxy)propanoate
CID 8737930
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 99132130
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
2-(3-methylphenoxy)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]propanamide
CID 24563425
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 110909100
2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 21366996
(2R)-N-[(4-methylphenyl)methyl]-2-phenoxypropanamide
CID 670065
2-(3-methylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide
CID 133218956
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032
N-[(2-chlorophenyl)methyl]-2-(3-methylphenoxy)propanamide
CID 6915501
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide
CID 24511209
(2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 33278800

Frequently Asked Questions

What is the IUPAC name of dimethyl-[[4-[[[(2S)-2-(3-methylphenoxy)propanoyl]amino]methyl]phenyl]methyl]azanium?
The IUPAC name of dimethyl-[[4-[[[(2S)-2-(3-methylphenoxy)propanoyl]amino]methyl]phenyl]methyl]azanium (CID 9194529) is dimethyl-[[4-[[[(2S)-2-(3-methylphenoxy)propanoyl]amino]methyl]phenyl]methyl]azanium.
What is the SMILES notation for dimethyl-[[4-[[[(2S)-2-(3-methylphenoxy)propanoyl]amino]methyl]phenyl]methyl]azanium?
The canonical SMILES for dimethyl-[[4-[[[(2S)-2-(3-methylphenoxy)propanoyl]amino]methyl]phenyl]methyl]azanium is Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(C[NH+](C)C)cc2)c1.
What is the InChIKey of dimethyl-[[4-[[[(2S)-2-(3-methylphenoxy)propanoyl]amino]methyl]phenyl]methyl]azanium?
The InChIKey is GNGUUNRFXZZPBN-INIZCTEOSA-O. The full InChI is InChI=1S/C20H26N2O2/c1-15-6-5-7-19(12-15)24-16(2)20(23)21-13-17-8-10-18(11-9-17)14-22(3)4/h5-12,16H,13-14H2,1-4H3,(H,21,23)/p+1/t16-/m0/s1.
What are the key properties of dimethyl-[[4-[[[(2S)-2-(3-methylphenoxy)propanoyl]amino]methyl]phenyl]methyl]azanium?
dimethyl-[[4-[[[(2S)-2-(3-methylphenoxy)propanoyl]amino]methyl]phenyl]methyl]azanium has a molecular weight of 327.45 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[[4-[[[(2S)-2-(3-methylphenoxy)propanoyl]amino]methyl]phenyl]methyl]azanium is sourced from PubChem (CID 9194529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).