ethyl 2-[methyl-[2-(methylamino)-3-phenylpropanoyl]amino]-3-(2-methylphenyl)propanoate

C23H30N2O3 — CID 78021933

IUPACethyl 2-[methyl-[2-(methylamino)-3-phenylpropanoyl]amino]-3-(2-methylphenyl)propanoate
SMILESCCOC(=O)C(Cc1ccccc1C)N(C)C(=O)C(Cc1ccccc1)NC
InChIInChI=1S/C23H30N2O3/c1-5-28-23(27)21(16-19-14-10-9-11-17(19)2)25(4)22(26)20(24-3)15-18-12-7-6-8-13-18/h6-14,20-21,24H,5,15-16H2,1-4H3
InChIKeyLKOVMIWLGFJPEC-UHFFFAOYSA-N
MW382.50 g/mol
LogP2.76
Rot. Bonds9

About ethyl 2-[methyl-[2-(methylamino)-3-phenylpropanoyl]amino]-3-(2-methylphenyl)propanoate

ethyl 2-[methyl-[2-(methylamino)-3-phenylpropanoyl]amino]-3-(2-methylphenyl)propanoate (PubChem CID 78021933) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is ethyl 2-[methyl-[2-(methylamino)-3-phenylpropanoyl]amino]-3-(2-methylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-[methyl-[2-(methylamino)-3-phenylpropanoyl]amino]-3-(2-methylphenyl)propanoate
PubChem CID78021933
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Nameethyl 2-[methyl-[2-(methylamino)-3-phenylpropanoyl]amino]-3-(2-methylphenyl)propanoate
SMILESCCOC(=O)C(Cc1ccccc1C)N(C)C(=O)C(Cc1ccccc1)NC
InChIInChI=1S/C23H30N2O3/c1-5-28-23(27)21(16-19-14-10-9-11-17(19)2)25(4)22(26)20(24-3)15-18-12-7-6-8-13-18/h6-14,20-21,24H,5,15-16H2,1-4H3
InChIKeyLKOVMIWLGFJPEC-UHFFFAOYSA-N
XLogP2.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S)-2-methyl-3-(2-methylphenyl)propanoate
CID 125424870
N-methyl-2-[methyl-[2-(methylamino)-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanamide
CID 22326951
(2R)-2-acetamido-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 38359873
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
ethyl (2S)-3-phenyl-2-(2-propylpentanoylamino)propanoate
CID 10829459
ethyl 3-phenyl-2-[(2-thiophen-3-ylacetyl)amino]propanoate
CID 110183706
ethyl (2R)-2-[methyl(thiophene-2-carbonyl)amino]-3-phenylpropanoate
CID 95330103
(2S)-2-[benzyl-[2-(2-methylphenyl)acetyl]amino]-N-butyl-3-phenylpropanamide
CID 100585388
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
2-[[2-(methylamino)-3-phenylpropanoyl]amino]butanamide
CID 174410015
ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate
CID 15546721
(2R)-N-ethyl-2-(methylamino)-3-phenylpropanamide
CID 10608375

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[2-(methylamino)-3-phenylpropanoyl]amino]-3-(2-methylphenyl)propanoate?
The IUPAC name of ethyl 2-[methyl-[2-(methylamino)-3-phenylpropanoyl]amino]-3-(2-methylphenyl)propanoate (CID 78021933) is ethyl 2-[methyl-[2-(methylamino)-3-phenylpropanoyl]amino]-3-(2-methylphenyl)propanoate.
What is the SMILES notation for ethyl 2-[methyl-[2-(methylamino)-3-phenylpropanoyl]amino]-3-(2-methylphenyl)propanoate?
The canonical SMILES for ethyl 2-[methyl-[2-(methylamino)-3-phenylpropanoyl]amino]-3-(2-methylphenyl)propanoate is CCOC(=O)C(Cc1ccccc1C)N(C)C(=O)C(Cc1ccccc1)NC.
What is the InChIKey of ethyl 2-[methyl-[2-(methylamino)-3-phenylpropanoyl]amino]-3-(2-methylphenyl)propanoate?
The InChIKey is LKOVMIWLGFJPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-5-28-23(27)21(16-19-14-10-9-11-17(19)2)25(4)22(26)20(24-3)15-18-12-7-6-8-13-18/h6-14,20-21,24H,5,15-16H2,1-4H3.
What are the key properties of ethyl 2-[methyl-[2-(methylamino)-3-phenylpropanoyl]amino]-3-(2-methylphenyl)propanoate?
ethyl 2-[methyl-[2-(methylamino)-3-phenylpropanoyl]amino]-3-(2-methylphenyl)propanoate has a molecular weight of 382.50 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[2-(methylamino)-3-phenylpropanoyl]amino]-3-(2-methylphenyl)propanoate is sourced from PubChem (CID 78021933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).