3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanamide

C18H20N2O4 — CID 71080092

IUPAC3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanamide
SMILESNC(=O)C(Cc1ccc(O)cc1)NC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C18H20N2O4/c19-18(24)16(11-13-3-8-15(22)9-4-13)20-17(23)10-5-12-1-6-14(21)7-2-12/h1-4,6-9,16,21-22H,5,10-11H2,(H2,19,24)(H,20,23)
InChIKeyZFGDTYQWXBQAHM-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.24
Rot. Bonds7

About 3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanamide

3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanamide (PubChem CID 71080092) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanamide.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanamide
PubChem CID71080092
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanamide
SMILESNC(=O)C(Cc1ccc(O)cc1)NC(=O)CCc1ccc(O)cc1
InChIInChI=1S/C18H20N2O4/c19-18(24)16(11-13-3-8-15(22)9-4-13)20-17(23)10-5-12-1-6-14(21)7-2-12/h1-4,6-9,16,21-22H,5,10-11H2,(H2,19,24)(H,20,23)
InChIKeyZFGDTYQWXBQAHM-UHFFFAOYSA-N
XLogP1.24
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-acetamidoacetyl)amino]-3-(4-hydroxyphenyl)propanamide
CID 172868534
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanamide
CID 4667426
carbonic acid;prop-2-enyl 3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanoate
CID 137423914
(2S)-3-(3,4-dihydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanoic acid
CID 175272365
2-hydrazinyl-3-(4-hydroxyphenyl)propanamide
CID 144742434
ethyl 3-(4-acetyloxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanoate
CID 89233944
2-[3-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-phenylpropanamide
CID 70938229
N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-methylprop-2-enamide
CID 19980707
2-(3-aminopropanoylamino)-3-(4-hydroxyphenyl)propanoic acid;hydrochloride
CID 139026475
2-amino-N-[1-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide
CID 18682976
4-[[(1R)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-oxobutanoic acid
CID 95290073
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(3-phenylpropanoylamino)propanoyl]amino]-3-methylbutanoic acid
CID 24984495

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanamide?
The IUPAC name of 3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanamide (CID 71080092) is 3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanamide.
What is the SMILES notation for 3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanamide?
The canonical SMILES for 3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanamide is NC(=O)C(Cc1ccc(O)cc1)NC(=O)CCc1ccc(O)cc1.
What is the InChIKey of 3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanamide?
The InChIKey is ZFGDTYQWXBQAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c19-18(24)16(11-13-3-8-15(22)9-4-13)20-17(23)10-5-12-1-6-14(21)7-2-12/h1-4,6-9,16,21-22H,5,10-11H2,(H2,19,24)(H,20,23).
What are the key properties of 3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanamide?
3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanamide has a molecular weight of 328.37 g/mol, XLogP of 1.24, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanamide is sourced from PubChem (CID 71080092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).