2,3-dihydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]propanamide

C18H29NO3 — CID 171869191

IUPAC2,3-dihydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]propanamide
SMILESCC(C)c1cc(C(C)C)c(C(O)C(O)C(N)=O)c(C(C)C)c1
InChIInChI=1S/C18H29NO3/c1-9(2)12-7-13(10(3)4)15(14(8-12)11(5)6)16(20)17(21)18(19)22/h7-11,16-17,20-21H,1-6H3,(H2,19,22)
InChIKeyRLGQCBJZWIOYIU-UHFFFAOYSA-N
MW307.43 g/mol
LogP2.94
Rot. Bonds6

About 2,3-dihydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]propanamide

2,3-dihydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]propanamide (PubChem CID 171869191) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is 2,3-dihydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2,3-dihydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]propanamide
PubChem CID171869191
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name2,3-dihydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]propanamide
SMILESCC(C)c1cc(C(C)C)c(C(O)C(O)C(N)=O)c(C(C)C)c1
InChIInChI=1S/C18H29NO3/c1-9(2)12-7-13(10(3)4)15(14(8-12)11(5)6)16(20)17(21)18(19)22/h7-11,16-17,20-21H,1-6H3,(H2,19,22)
InChIKeyRLGQCBJZWIOYIU-UHFFFAOYSA-N
XLogP2.94
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-bis[2,4,6-tri(propan-2-yl)phenyl]propan-2-one
CID 100949370
3-(4,6-dichloropyrimidin-5-yl)-2,3-dihydroxypropanamide
CID 171869611
3-(2,6-dibromo-4-fluorophenyl)-2,3-dihydroxypropanamide
CID 171869280
2,3-dihydroxy-3-(4-methylphenyl)propanamide
CID 171867589
4-[2,4,6-tri(propan-2-yl)phenyl]but-3-enamide
CID 170798906
3-(4-formyl-2,6-dimethoxyphenyl)-2,3-dihydroxypropanamide
CID 171869052
azane;2,4,6-tri(propan-2-yl)phenol
CID 174814858
3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171869417
3-(2-amino-3,5-dimethylphenyl)-2,3-dihydroxypropanamide
CID 171868212
[2,4,6-tri(propan-2-yl)phenyl]thiourea
CID 169359447
2,3-dihydroxy-3-(2,3,6-trifluorophenyl)propanamide
CID 171867982
3-(3,4-difluoro-5-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171868510

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]propanamide?
The IUPAC name of 2,3-dihydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]propanamide (CID 171869191) is 2,3-dihydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]propanamide.
What is the SMILES notation for 2,3-dihydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]propanamide?
The canonical SMILES for 2,3-dihydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]propanamide is CC(C)c1cc(C(C)C)c(C(O)C(O)C(N)=O)c(C(C)C)c1.
What is the InChIKey of 2,3-dihydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]propanamide?
The InChIKey is RLGQCBJZWIOYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3/c1-9(2)12-7-13(10(3)4)15(14(8-12)11(5)6)16(20)17(21)18(19)22/h7-11,16-17,20-21H,1-6H3,(H2,19,22).
What are the key properties of 2,3-dihydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]propanamide?
2,3-dihydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]propanamide has a molecular weight of 307.43 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-[2,4,6-tri(propan-2-yl)phenyl]propanamide is sourced from PubChem (CID 171869191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).