2-[3-[5-(1-amino-1-oxopropan-2-yl)-2-hydroxyphenyl]-4-hydroxyphenyl]propanamide

C18H20N2O4 — CID 139557591

IUPAC2-[3-[5-(1-amino-1-oxopropan-2-yl)-2-hydroxyphenyl]-4-hydroxyphenyl]propanamide
SMILESCC(C(N)=O)c1ccc(O)c(-c2cc(C(C)C(N)=O)ccc2O)c1
InChIInChI=1S/C18H20N2O4/c1-9(17(19)23)11-3-5-15(21)13(7-11)14-8-12(4-6-16(14)22)10(2)18(20)24/h3-10,21-22H,1-2H3,(H2,19,23)(H2,20,24)
InChIKeyHBCQNVUVUOAFCK-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.94
Rot. Bonds5

About 2-[3-[5-(1-amino-1-oxopropan-2-yl)-2-hydroxyphenyl]-4-hydroxyphenyl]propanamide

2-[3-[5-(1-amino-1-oxopropan-2-yl)-2-hydroxyphenyl]-4-hydroxyphenyl]propanamide (PubChem CID 139557591) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[3-[5-(1-amino-1-oxopropan-2-yl)-2-hydroxyphenyl]-4-hydroxyphenyl]propanamide.

Molecular Properties

Compound Name2-[3-[5-(1-amino-1-oxopropan-2-yl)-2-hydroxyphenyl]-4-hydroxyphenyl]propanamide
PubChem CID139557591
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-[3-[5-(1-amino-1-oxopropan-2-yl)-2-hydroxyphenyl]-4-hydroxyphenyl]propanamide
SMILESCC(C(N)=O)c1ccc(O)c(-c2cc(C(C)C(N)=O)ccc2O)c1
InChIInChI=1S/C18H20N2O4/c1-9(17(19)23)11-3-5-15(21)13(7-11)14-8-12(4-6-16(14)22)10(2)18(20)24/h3-10,21-22H,1-2H3,(H2,19,23)(H2,20,24)
InChIKeyHBCQNVUVUOAFCK-UHFFFAOYSA-N
XLogP1.94
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-naphthalen-2-ylpropanamide
CID 101175106
2-[4-(2,4-difluorophenyl)-3-fluorophenyl]propanamide
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2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]propanamide
CID 66691200
4-(1-aminoethyl)-2-(2-hydroxyphenyl)phenol
CID 115037146
(2R)-2-(3-methyl-4-methylsulfanylphenyl)propanamide
CID 154255414
2-(3,4-dihydroxyphenyl)propanoic acid
CID 20848968
2-(1H-indol-5-yl)propanamide
CID 140559721
ethyl 2-(3,4-dihydroxyphenyl)propanoate
CID 66702388
2-isoquinolin-6-ylpropanamide
CID 66599621
(2R)-2-(3-methoxyphenyl)propanamide
CID 130713337
molecular hydrogen;(2S)-2-phenylpropanamide
CID 143947719
2-[4-(2-methylphenyl)phenyl]propanamide
CID 155097671

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(1-amino-1-oxopropan-2-yl)-2-hydroxyphenyl]-4-hydroxyphenyl]propanamide?
The IUPAC name of 2-[3-[5-(1-amino-1-oxopropan-2-yl)-2-hydroxyphenyl]-4-hydroxyphenyl]propanamide (CID 139557591) is 2-[3-[5-(1-amino-1-oxopropan-2-yl)-2-hydroxyphenyl]-4-hydroxyphenyl]propanamide.
What is the SMILES notation for 2-[3-[5-(1-amino-1-oxopropan-2-yl)-2-hydroxyphenyl]-4-hydroxyphenyl]propanamide?
The canonical SMILES for 2-[3-[5-(1-amino-1-oxopropan-2-yl)-2-hydroxyphenyl]-4-hydroxyphenyl]propanamide is CC(C(N)=O)c1ccc(O)c(-c2cc(C(C)C(N)=O)ccc2O)c1.
What is the InChIKey of 2-[3-[5-(1-amino-1-oxopropan-2-yl)-2-hydroxyphenyl]-4-hydroxyphenyl]propanamide?
The InChIKey is HBCQNVUVUOAFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-9(17(19)23)11-3-5-15(21)13(7-11)14-8-12(4-6-16(14)22)10(2)18(20)24/h3-10,21-22H,1-2H3,(H2,19,23)(H2,20,24).
What are the key properties of 2-[3-[5-(1-amino-1-oxopropan-2-yl)-2-hydroxyphenyl]-4-hydroxyphenyl]propanamide?
2-[3-[5-(1-amino-1-oxopropan-2-yl)-2-hydroxyphenyl]-4-hydroxyphenyl]propanamide has a molecular weight of 328.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(1-amino-1-oxopropan-2-yl)-2-hydroxyphenyl]-4-hydroxyphenyl]propanamide is sourced from PubChem (CID 139557591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).