methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate

C18H19NO3 — CID 2054812

IUPACmethyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
SMILESCOC(=O)C[C@@H](NC(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-13-8-10-15(11-9-13)18(21)19-16(12-17(20)22-2)14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3,(H,19,21)/t16-/m1/s1
InChIKeyUBFSZTFOBCCTLL-MRXNPFEDSA-N
MW297.35 g/mol
LogP3.03
Rot. Bonds5

About methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate

methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate (PubChem CID 2054812) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
PubChem CID2054812
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namemethyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
SMILESCOC(=O)C[C@@H](NC(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c1-13-8-10-15(11-9-13)18(21)19-16(12-17(20)22-2)14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3,(H,19,21)/t16-/m1/s1
InChIKeyUBFSZTFOBCCTLL-MRXNPFEDSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoate
CID 46637564
methyl 3-(4-acetylphenyl)-3-benzamidopropanoate
CID 18797721
methyl (3S)-3-[(4-nitrobenzoyl)amino]-3-phenylpropanoate
CID 91556089
methyl 3-phenyl-3-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoate
CID 47013808
methyl 3-(4-phenylphenyl)-3-[[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]propanoate
CID 69400035
methyl (3S)-3-(4-methylphenyl)-3-[(6-methylpyridine-3-carbonyl)amino]propanoate
CID 31118479
methyl 3-benzamido-3-[4-(trifluoromethyl)phenyl]propanoate
CID 18797714
methyl (3S)-3-(furan-3-carbonylamino)-3-phenylpropanoate
CID 41177012
methyl 3-[(1-methylpyrazole-4-carbonyl)amino]-3-phenylpropanoate
CID 18098156
methyl 3-phenyl-3-[(3,4,5-triethoxybenzoyl)amino]propanoate
CID 46483385
methyl (3R)-3-[(3-fluoro-4-methylbenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 31861915
methyl (3S)-3-(1,3-benzodioxol-5-yl)-3-[(4-methylbenzoyl)amino]propanoate
CID 40565105

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate (CID 2054812) is methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate is COC(=O)C[C@@H](NC(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate?
The InChIKey is UBFSZTFOBCCTLL-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13-8-10-15(11-9-13)18(21)19-16(12-17(20)22-2)14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3,(H,19,21)/t16-/m1/s1.
What are the key properties of methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate?
methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate has a molecular weight of 297.35 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 2054812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).