2-hydroxy-N-(2,3,4,5,6-pentamethylphenyl)propanamide

C14H21NO2 — CID 91336330

IUPAC2-hydroxy-N-(2,3,4,5,6-pentamethylphenyl)propanamide
SMILESCc1c(C)c(C)c(NC(=O)C(C)O)c(C)c1C
InChIInChI=1S/C14H21NO2/c1-7-8(2)10(4)13(11(5)9(7)3)15-14(17)12(6)16/h12,16H,1-6H3,(H,15,17)
InChIKeyGTZGOFIFOSMRCD-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.55
Rot. Bonds2

About 2-hydroxy-N-(2,3,4,5,6-pentamethylphenyl)propanamide

2-hydroxy-N-(2,3,4,5,6-pentamethylphenyl)propanamide (PubChem CID 91336330) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-hydroxy-N-(2,3,4,5,6-pentamethylphenyl)propanamide.

Molecular Properties

Compound Name2-hydroxy-N-(2,3,4,5,6-pentamethylphenyl)propanamide
PubChem CID91336330
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-hydroxy-N-(2,3,4,5,6-pentamethylphenyl)propanamide
SMILESCc1c(C)c(C)c(NC(=O)C(C)O)c(C)c1C
InChIInChI=1S/C14H21NO2/c1-7-8(2)10(4)13(11(5)9(7)3)15-14(17)12(6)16/h12,16H,1-6H3,(H,15,17)
InChIKeyGTZGOFIFOSMRCD-UHFFFAOYSA-N
XLogP2.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N-(2,3,5,6-tetramethylphenyl)propanamide
CID 115140366
2-hydroxy-N-(4-methoxy-2,3,6-trimethylphenyl)propanamide
CID 115140443
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-hydroxypropanamide
CID 126991153
(2S)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-hydroxypropanamide
CID 130616947
3-N-(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanoylamino)-2,4,6-trimethylbenzene-1,3-dicarboxamide
CID 91017091
2-hydroxy-N-(2,4,5-trimethylphenyl)propanamide
CID 115140395
N-(2,3,4,5,6-pentamethylphenyl)propanamide
CID 58731539
2-hydroxy-N-(5-methylpyrazin-2-yl)propanamide
CID 122677881
(2R)-2-hydroxy-N-(3-hydroxyphenyl)propanamide
CID 130735484
(2S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-hydroxypropanamide
CID 127009505
3-N-(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanoylamino)-2,4,6-triiodo-1-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 146606065
2-chloro-1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-[[(2S)-2-hydroxypropanoyl]amino]-4,6-diiodobenzene-1,3-dicarboxamide
CID 171382110

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2,3,4,5,6-pentamethylphenyl)propanamide?
The IUPAC name of 2-hydroxy-N-(2,3,4,5,6-pentamethylphenyl)propanamide (CID 91336330) is 2-hydroxy-N-(2,3,4,5,6-pentamethylphenyl)propanamide.
What is the SMILES notation for 2-hydroxy-N-(2,3,4,5,6-pentamethylphenyl)propanamide?
The canonical SMILES for 2-hydroxy-N-(2,3,4,5,6-pentamethylphenyl)propanamide is Cc1c(C)c(C)c(NC(=O)C(C)O)c(C)c1C.
What is the InChIKey of 2-hydroxy-N-(2,3,4,5,6-pentamethylphenyl)propanamide?
The InChIKey is GTZGOFIFOSMRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-7-8(2)10(4)13(11(5)9(7)3)15-14(17)12(6)16/h12,16H,1-6H3,(H,15,17).
What are the key properties of 2-hydroxy-N-(2,3,4,5,6-pentamethylphenyl)propanamide?
2-hydroxy-N-(2,3,4,5,6-pentamethylphenyl)propanamide has a molecular weight of 235.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2,3,4,5,6-pentamethylphenyl)propanamide is sourced from PubChem (CID 91336330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).