ethyl (2R)-2-[4-methyl-2-[[(1R)-1-phenylethyl]carbamoyl]anilino]propanoate

C21H26N2O3 — CID 97312230

IUPACethyl (2R)-2-[4-methyl-2-[[(1R)-1-phenylethyl]carbamoyl]anilino]propanoate
SMILESCCOC(=O)[C@@H](C)Nc1ccc(C)cc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C21H26N2O3/c1-5-26-21(25)16(4)22-19-12-11-14(2)13-18(19)20(24)23-15(3)17-9-7-6-8-10-17/h6-13,15-16,22H,5H2,1-4H3,(H,23,24)/t15-,16-/m1/s1
InChIKeyWCGWYXFYFPCELY-HZPDHXFCSA-N
MW354.45 g/mol
LogP3.85
Rot. Bonds7

About ethyl (2R)-2-[4-methyl-2-[[(1R)-1-phenylethyl]carbamoyl]anilino]propanoate

ethyl (2R)-2-[4-methyl-2-[[(1R)-1-phenylethyl]carbamoyl]anilino]propanoate (PubChem CID 97312230) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is ethyl (2R)-2-[4-methyl-2-[[(1R)-1-phenylethyl]carbamoyl]anilino]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[4-methyl-2-[[(1R)-1-phenylethyl]carbamoyl]anilino]propanoate
PubChem CID97312230
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Nameethyl (2R)-2-[4-methyl-2-[[(1R)-1-phenylethyl]carbamoyl]anilino]propanoate
SMILESCCOC(=O)[C@@H](C)Nc1ccc(C)cc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C21H26N2O3/c1-5-26-21(25)16(4)22-19-12-11-14(2)13-18(19)20(24)23-15(3)17-9-7-6-8-10-17/h6-13,15-16,22H,5H2,1-4H3,(H,23,24)/t15-,16-/m1/s1
InChIKeyWCGWYXFYFPCELY-HZPDHXFCSA-N
XLogP3.85
TPSA67.43 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 ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-methyl-N-(1-phenylethyl)benzamide
CID 79770350
ethyl (2S)-2-[[(1R)-1-phenylethyl]carbamoylamino]propanoate
CID 10084171
N-[1-(4-fluorophenyl)ethyl]-2-hydrazinyl-5-methylbenzamide
CID 62513143
ethyl 2-(2-acetylanilino)propanoate
CID 67790607
ethyl 2-(2,4-dimethylanilino)-2-phenylacetate
CID 103600909
2,4-dimethyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]benzamide
CID 26242918
ethyl 2-amino-3-oxo-3-[[(1R)-1-phenylethyl]amino]propanoate
CID 104877608
ethyl 2-(1-phenylethylamino)benzoate;hydrochloride
CID 172883208
2-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248479
ethyl 2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanoate
CID 81361138
ethyl 2-methyl-3-[[(1R)-1-phenylethyl]amino]but-2-enoate
CID 162812870
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[4-methyl-2-[[(1R)-1-phenylethyl]carbamoyl]anilino]propanoate?
The IUPAC name of ethyl (2R)-2-[4-methyl-2-[[(1R)-1-phenylethyl]carbamoyl]anilino]propanoate (CID 97312230) is ethyl (2R)-2-[4-methyl-2-[[(1R)-1-phenylethyl]carbamoyl]anilino]propanoate.
What is the SMILES notation for ethyl (2R)-2-[4-methyl-2-[[(1R)-1-phenylethyl]carbamoyl]anilino]propanoate?
The canonical SMILES for ethyl (2R)-2-[4-methyl-2-[[(1R)-1-phenylethyl]carbamoyl]anilino]propanoate is CCOC(=O)[C@@H](C)Nc1ccc(C)cc1C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of ethyl (2R)-2-[4-methyl-2-[[(1R)-1-phenylethyl]carbamoyl]anilino]propanoate?
The InChIKey is WCGWYXFYFPCELY-HZPDHXFCSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-26-21(25)16(4)22-19-12-11-14(2)13-18(19)20(24)23-15(3)17-9-7-6-8-10-17/h6-13,15-16,22H,5H2,1-4H3,(H,23,24)/t15-,16-/m1/s1.
What are the key properties of ethyl (2R)-2-[4-methyl-2-[[(1R)-1-phenylethyl]carbamoyl]anilino]propanoate?
ethyl (2R)-2-[4-methyl-2-[[(1R)-1-phenylethyl]carbamoyl]anilino]propanoate has a molecular weight of 354.45 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[4-methyl-2-[[(1R)-1-phenylethyl]carbamoyl]anilino]propanoate is sourced from PubChem (CID 97312230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).