2-(3,5-dihydroxyphenyl)-2-(propan-2-ylamino)propanamide

C12H18N2O3 — CID 107707483

IUPAC2-(3,5-dihydroxyphenyl)-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(C)(C(N)=O)c1cc(O)cc(O)c1
InChIInChI=1S/C12H18N2O3/c1-7(2)14-12(3,11(13)17)8-4-9(15)6-10(16)5-8/h4-7,14-16H,1-3H3,(H2,13,17)
InChIKeyFQGXIHJBBSOTQG-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.80
Rot. Bonds4

About 2-(3,5-dihydroxyphenyl)-2-(propan-2-ylamino)propanamide

2-(3,5-dihydroxyphenyl)-2-(propan-2-ylamino)propanamide (PubChem CID 107707483) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(3,5-dihydroxyphenyl)-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-(3,5-dihydroxyphenyl)-2-(propan-2-ylamino)propanamide
PubChem CID107707483
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(3,5-dihydroxyphenyl)-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(C)(C(N)=O)c1cc(O)cc(O)c1
InChIInChI=1S/C12H18N2O3/c1-7(2)14-12(3,11(13)17)8-4-9(15)6-10(16)5-8/h4-7,14-16H,1-3H3,(H2,13,17)
InChIKeyFQGXIHJBBSOTQG-UHFFFAOYSA-N
XLogP0.80
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dihydroxyphenyl)-2-(ethylamino)propanamide
CID 107707485
2-(4-hydroxy-3-methoxyphenyl)-2-(propan-2-ylamino)propanamide
CID 60787348
2-(cyclohexylamino)-2-(3,5-dihydroxyphenyl)propanamide
CID 107707551
2-(3-fluoro-4-methoxyphenyl)-2-(propan-2-ylamino)propanamide
CID 60788030
2-(6-methoxynaphthalen-2-yl)-2-(propan-2-ylamino)propanamide
CID 60788360
2-(2,4-dichlorophenyl)-2-(propan-2-ylamino)propanamide
CID 54918479
2-(3,5-dihydroxyphenyl)-2-(methylamino)propanoic acid
CID 107707477
2-(2-chlorophenyl)-2-(propan-2-ylamino)propanamide
CID 60788357
2-(4-hydroxyphenyl)-2-(propan-2-ylamino)propanoic acid
CID 43754261
ethyl 2-(3,5-dihydroxyphenyl)-2-(methylamino)propanoate
CID 107707487
(2R)-2-amino-2-(3,5-dihydroxyphenyl)propanoic acid
CID 55253702
2-(butan-2-ylamino)-2-(3,4-difluorophenyl)propanamide
CID 54908455

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dihydroxyphenyl)-2-(propan-2-ylamino)propanamide?
The IUPAC name of 2-(3,5-dihydroxyphenyl)-2-(propan-2-ylamino)propanamide (CID 107707483) is 2-(3,5-dihydroxyphenyl)-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for 2-(3,5-dihydroxyphenyl)-2-(propan-2-ylamino)propanamide?
The canonical SMILES for 2-(3,5-dihydroxyphenyl)-2-(propan-2-ylamino)propanamide is CC(C)NC(C)(C(N)=O)c1cc(O)cc(O)c1.
What is the InChIKey of 2-(3,5-dihydroxyphenyl)-2-(propan-2-ylamino)propanamide?
The InChIKey is FQGXIHJBBSOTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7(2)14-12(3,11(13)17)8-4-9(15)6-10(16)5-8/h4-7,14-16H,1-3H3,(H2,13,17).
What are the key properties of 2-(3,5-dihydroxyphenyl)-2-(propan-2-ylamino)propanamide?
2-(3,5-dihydroxyphenyl)-2-(propan-2-ylamino)propanamide has a molecular weight of 238.29 g/mol, XLogP of 0.80, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dihydroxyphenyl)-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 107707483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).