propan-2-yl 3-[3-(2-hydroxyphenyl)propanoylamino]-3-phenylpropanoate

C21H25NO4 — CID 43035542

IUPACpropan-2-yl 3-[3-(2-hydroxyphenyl)propanoylamino]-3-phenylpropanoate
SMILESCC(C)OC(=O)CC(NC(=O)CCc1ccccc1O)c1ccccc1
InChIInChI=1S/C21H25NO4/c1-15(2)26-21(25)14-18(16-8-4-3-5-9-16)22-20(24)13-12-17-10-6-7-11-19(17)23/h3-11,15,18,23H,12-14H2,1-2H3,(H,22,24)
InChIKeyTWAAXFMIDAQEFC-UHFFFAOYSA-N
MW355.43 g/mol
LogP3.52
Rot. Bonds8

About propan-2-yl 3-[3-(2-hydroxyphenyl)propanoylamino]-3-phenylpropanoate

propan-2-yl 3-[3-(2-hydroxyphenyl)propanoylamino]-3-phenylpropanoate (PubChem CID 43035542) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is propan-2-yl 3-[3-(2-hydroxyphenyl)propanoylamino]-3-phenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[3-(2-hydroxyphenyl)propanoylamino]-3-phenylpropanoate
PubChem CID43035542
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Namepropan-2-yl 3-[3-(2-hydroxyphenyl)propanoylamino]-3-phenylpropanoate
SMILESCC(C)OC(=O)CC(NC(=O)CCc1ccccc1O)c1ccccc1
InChIInChI=1S/C21H25NO4/c1-15(2)26-21(25)14-18(16-8-4-3-5-9-16)22-20(24)13-12-17-10-6-7-11-19(17)23/h3-11,15,18,23H,12-14H2,1-2H3,(H,22,24)
InChIKeyTWAAXFMIDAQEFC-UHFFFAOYSA-N
XLogP3.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 3-phenyl-3-(3-thiophen-3-ylpropanoylamino)propanoate
CID 134017831
propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride
CID 119274327
propan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate
CID 94194144
2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid
CID 43241188
propan-2-yl 3-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-3-phenylpropanoate
CID 51257037
propan-2-yl (3R)-3-[3-(benzimidazol-1-yl)propanoylamino]-3-phenylpropanoate
CID 39168946
propan-2-yl 3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 55439728
propan-2-yl 3-[[4-(2-methylpropanoylamino)benzoyl]amino]-3-phenylpropanoate
CID 46686826
N-[2-(2-fluorophenoxy)-1-phenylethyl]-3-(2-hydroxyphenyl)propanamide
CID 112835967
3-[3-(2-fluorophenyl)propanoylamino]-3-phenylpropanoic acid
CID 45461619
(2S)-2-[3-(2-hydroxyphenyl)propanoylamino]-3-methylbutanoic acid
CID 61137608
methyl 2-[3-(2-hydroxyphenyl)propanoylamino]propanoate
CID 60712354

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[3-(2-hydroxyphenyl)propanoylamino]-3-phenylpropanoate?
The IUPAC name of propan-2-yl 3-[3-(2-hydroxyphenyl)propanoylamino]-3-phenylpropanoate (CID 43035542) is propan-2-yl 3-[3-(2-hydroxyphenyl)propanoylamino]-3-phenylpropanoate.
What is the SMILES notation for propan-2-yl 3-[3-(2-hydroxyphenyl)propanoylamino]-3-phenylpropanoate?
The canonical SMILES for propan-2-yl 3-[3-(2-hydroxyphenyl)propanoylamino]-3-phenylpropanoate is CC(C)OC(=O)CC(NC(=O)CCc1ccccc1O)c1ccccc1.
What is the InChIKey of propan-2-yl 3-[3-(2-hydroxyphenyl)propanoylamino]-3-phenylpropanoate?
The InChIKey is TWAAXFMIDAQEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-15(2)26-21(25)14-18(16-8-4-3-5-9-16)22-20(24)13-12-17-10-6-7-11-19(17)23/h3-11,15,18,23H,12-14H2,1-2H3,(H,22,24).
What are the key properties of propan-2-yl 3-[3-(2-hydroxyphenyl)propanoylamino]-3-phenylpropanoate?
propan-2-yl 3-[3-(2-hydroxyphenyl)propanoylamino]-3-phenylpropanoate has a molecular weight of 355.43 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[3-(2-hydroxyphenyl)propanoylamino]-3-phenylpropanoate is sourced from PubChem (CID 43035542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).