ethyl 3-phenyl-2-[[2-(2-phenylethoxy)benzoyl]amino]propanoate

C26H27NO4 — CID 43877682

IUPACethyl 3-phenyl-2-[[2-(2-phenylethoxy)benzoyl]amino]propanoate
SMILESCCOC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1OCCc1ccccc1
InChIInChI=1S/C26H27NO4/c1-2-30-26(29)23(19-21-13-7-4-8-14-21)27-25(28)22-15-9-10-16-24(22)31-18-17-20-11-5-3-6-12-20/h3-16,23H,2,17-19H2,1H3,(H,27,28)
InChIKeyNHODPVZQULOGTQ-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.21
Rot. Bonds10

About ethyl 3-phenyl-2-[[2-(2-phenylethoxy)benzoyl]amino]propanoate

ethyl 3-phenyl-2-[[2-(2-phenylethoxy)benzoyl]amino]propanoate (PubChem CID 43877682) has the molecular formula C26H27NO4 and a molecular weight of 417.51 g/mol. Its IUPAC name is ethyl 3-phenyl-2-[[2-(2-phenylethoxy)benzoyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-phenyl-2-[[2-(2-phenylethoxy)benzoyl]amino]propanoate
PubChem CID43877682
Molecular FormulaC26H27NO4
Molecular Weight417.51 g/mol
Exact Mass417.19
IUPAC Nameethyl 3-phenyl-2-[[2-(2-phenylethoxy)benzoyl]amino]propanoate
SMILESCCOC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1OCCc1ccccc1
InChIInChI=1S/C26H27NO4/c1-2-30-26(29)23(19-21-13-7-4-8-14-21)27-25(28)22-15-9-10-16-24(22)31-18-17-20-11-5-3-6-12-20/h3-16,23H,2,17-19H2,1H3,(H,27,28)
InChIKeyNHODPVZQULOGTQ-UHFFFAOYSA-N
XLogP4.21
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-(2-methylpropoxy)benzoyl]amino]-3-phenylpropanoate
CID 43877625
ethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate
CID 10686559
ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 43877551
N-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-2-ethoxybenzamide
CID 95181274
2-[[1-ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]benzoic acid
CID 68842473
ethyl (2R)-2-[[3-chloro-2-hydroxy-4-[4-(methylamino)butoxy]benzoyl]amino]-3-phenylpropanoate
CID 59901914
3-hydroxy-2-[(2-propoxybenzoyl)amino]propanoic acid
CID 3102729
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate
CID 3350942
(1-ethoxy-1-oxo-3-phenylpropan-2-yl)carbamodithioic acid
CID 11780574
ethyl 3-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]propanoate
CID 142971104
ethyl (2S)-3-phenyl-2-[(3,4,5-trihydroxybenzoyl)amino]propanoate
CID 129232233

Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenyl-2-[[2-(2-phenylethoxy)benzoyl]amino]propanoate?
The IUPAC name of ethyl 3-phenyl-2-[[2-(2-phenylethoxy)benzoyl]amino]propanoate (CID 43877682) is ethyl 3-phenyl-2-[[2-(2-phenylethoxy)benzoyl]amino]propanoate.
What is the SMILES notation for ethyl 3-phenyl-2-[[2-(2-phenylethoxy)benzoyl]amino]propanoate?
The canonical SMILES for ethyl 3-phenyl-2-[[2-(2-phenylethoxy)benzoyl]amino]propanoate is CCOC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1OCCc1ccccc1.
What is the InChIKey of ethyl 3-phenyl-2-[[2-(2-phenylethoxy)benzoyl]amino]propanoate?
The InChIKey is NHODPVZQULOGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO4/c1-2-30-26(29)23(19-21-13-7-4-8-14-21)27-25(28)22-15-9-10-16-24(22)31-18-17-20-11-5-3-6-12-20/h3-16,23H,2,17-19H2,1H3,(H,27,28).
What are the key properties of ethyl 3-phenyl-2-[[2-(2-phenylethoxy)benzoyl]amino]propanoate?
ethyl 3-phenyl-2-[[2-(2-phenylethoxy)benzoyl]amino]propanoate has a molecular weight of 417.51 g/mol, XLogP of 4.21, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenyl-2-[[2-(2-phenylethoxy)benzoyl]amino]propanoate is sourced from PubChem (CID 43877682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).