methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate

C18H19NO3 — CID 3350942

IUPACmethyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1C
InChIInChI=1S/C18H19NO3/c1-13-8-6-7-11-15(13)17(20)19-16(18(21)22-2)12-14-9-4-3-5-10-14/h3-11,16H,12H2,1-2H3,(H,19,20)
InChIKeyIFMZATDUJLWNNH-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.51
Rot. Bonds5

About methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate

methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate (PubChem CID 3350942) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate
PubChem CID3350942
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namemethyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1C
InChIInChI=1S/C18H19NO3/c1-13-8-6-7-11-15(13)17(20)19-16(18(21)22-2)12-14-9-4-3-5-10-14/h3-11,16H,12H2,1-2H3,(H,19,20)
InChIKeyIFMZATDUJLWNNH-UHFFFAOYSA-N
XLogP2.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]propanoate
CID 142971104
acetyl chloride;2-[(2-methylbenzoyl)amino]-3-phenylpropanoic acid
CID 174997492
methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-phenylpropanoate
CID 20624106
methyl (2S)-2-[[5-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]thiophene-2-carbonyl]amino]-3-phenylpropanoate
CID 139079472
methyl (2S)-2-[(4-aminonaphthalene-1-carbonyl)amino]-3-phenylpropanoate
CID 59949188
ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 43877551
ethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate
CID 10686559
methyl 2-[(4-bromonaphthalene-1-carbonyl)amino]-3-phenylpropanoate
CID 20624242
(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamothioic S-acid
CID 89345339
2-[(2,3-dimethylbenzoyl)amino]-3-phenylpropanoic acid
CID 16786218
methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate
CID 17178335
methyl (2S)-2-[(3,5-dichloro-2-hydroxy-4-methylbenzoyl)amino]-3-phenylpropanoate
CID 59932404

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate (CID 3350942) is methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1C.
What is the InChIKey of methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate?
The InChIKey is IFMZATDUJLWNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13-8-6-7-11-15(13)17(20)19-16(18(21)22-2)12-14-9-4-3-5-10-14/h3-11,16H,12H2,1-2H3,(H,19,20).
What are the key properties of methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate?
methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate has a molecular weight of 297.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 3350942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).