methyl 2-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-3-(3-methylphenyl)propanoate

C21H26N2O3 — CID 120668341

IUPACmethyl 2-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-3-(3-methylphenyl)propanoate
SMILESCOC(=O)C(CNC(=O)C(N)c1ccc(C)cc1)Cc1cccc(C)c1
InChIInChI=1S/C21H26N2O3/c1-14-7-9-17(10-8-14)19(22)20(24)23-13-18(21(25)26-3)12-16-6-4-5-15(2)11-16/h4-11,18-19H,12-13,22H2,1-3H3,(H,23,24)
InChIKeyLKEPTSYQKNGKAQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.45
Rot. Bonds7

About methyl 2-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-3-(3-methylphenyl)propanoate

methyl 2-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-3-(3-methylphenyl)propanoate (PubChem CID 120668341) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is methyl 2-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-3-(3-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-3-(3-methylphenyl)propanoate
PubChem CID120668341
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Namemethyl 2-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-3-(3-methylphenyl)propanoate
SMILESCOC(=O)C(CNC(=O)C(N)c1ccc(C)cc1)Cc1cccc(C)c1
InChIInChI=1S/C21H26N2O3/c1-14-7-9-17(10-8-14)19(22)20(24)23-13-18(21(25)26-3)12-16-6-4-5-15(2)11-16/h4-11,18-19H,12-13,22H2,1-3H3,(H,23,24)
InChIKeyLKEPTSYQKNGKAQ-UHFFFAOYSA-N
XLogP2.45
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(3-amino-2-methylbutanoyl)amino]methyl]-3-(3-methylphenyl)propanoate;hydrochloride
CID 120500577
methyl 2-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]-3-(3-methylphenyl)propanoate;hydrochloride
CID 119320346
methyl 2-[(2-aminopentanoylamino)methyl]-3-(3-methylphenyl)propanoate
CID 119320341
methyl 2-(aminomethyl)-3-(3-methylphenyl)propanoate;hydrochloride
CID 50988546
2-amino-N-[(3-methoxyphenyl)methyl]-2-(4-methylphenyl)acetamide
CID 106151129
2-amino-2-(4-methylphenyl)-N-[2-(4-methylphenyl)propyl]acetamide
CID 120668682
methyl 2-[(3-methylphenyl)methyl]-3-[(2-thiomorpholin-3-ylacetyl)amino]propanoate
CID 119938884
2-[[2-(4-methoxyphenyl)butanoylamino]methyl]-3-(3-methylphenyl)propanoic acid
CID 120687688
methyl 2-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-3-(3-methylphenyl)propanoate;hydrochloride
CID 119778002
2-amino-N-[2-(4-methylphenoxy)propyl]-2-(4-methylphenyl)acetamide
CID 120667389
2-amino-2-(4-methylphenyl)-N-phenylmethoxyacetamide
CID 106151599
methyl 2-[[[(2S)-2-aminopropanoyl]amino]methyl]-3-naphthalen-2-ylpropanoate
CID 119325146

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-3-(3-methylphenyl)propanoate?
The IUPAC name of methyl 2-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-3-(3-methylphenyl)propanoate (CID 120668341) is methyl 2-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-3-(3-methylphenyl)propanoate.
What is the SMILES notation for methyl 2-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-3-(3-methylphenyl)propanoate?
The canonical SMILES for methyl 2-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-3-(3-methylphenyl)propanoate is COC(=O)C(CNC(=O)C(N)c1ccc(C)cc1)Cc1cccc(C)c1.
What is the InChIKey of methyl 2-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-3-(3-methylphenyl)propanoate?
The InChIKey is LKEPTSYQKNGKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14-7-9-17(10-8-14)19(22)20(24)23-13-18(21(25)26-3)12-16-6-4-5-15(2)11-16/h4-11,18-19H,12-13,22H2,1-3H3,(H,23,24).
What are the key properties of methyl 2-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-3-(3-methylphenyl)propanoate?
methyl 2-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-3-(3-methylphenyl)propanoate has a molecular weight of 354.45 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[[2-amino-2-(4-methylphenyl)acetyl]amino]methyl]-3-(3-methylphenyl)propanoate is sourced from PubChem (CID 120668341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).