N-[4-(2,6-dihydroxyphenyl)-3,4-dihydroxybutyl]acetamide

C12H17NO5 — CID 171882639

IUPACN-[4-(2,6-dihydroxyphenyl)-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1c(O)cccc1O
InChIInChI=1S/C12H17NO5/c1-7(14)13-6-5-10(17)12(18)11-8(15)3-2-4-9(11)16/h2-4,10,12,15-18H,5-6H2,1H3,(H,13,14)
InChIKeyGYCMLTHGKKYWLH-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.02
Rot. Bonds5

About N-[4-(2,6-dihydroxyphenyl)-3,4-dihydroxybutyl]acetamide

N-[4-(2,6-dihydroxyphenyl)-3,4-dihydroxybutyl]acetamide (PubChem CID 171882639) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-[4-(2,6-dihydroxyphenyl)-3,4-dihydroxybutyl]acetamide.

Molecular Properties

Compound NameN-[4-(2,6-dihydroxyphenyl)-3,4-dihydroxybutyl]acetamide
PubChem CID171882639
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC NameN-[4-(2,6-dihydroxyphenyl)-3,4-dihydroxybutyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1c(O)cccc1O
InChIInChI=1S/C12H17NO5/c1-7(14)13-6-5-10(17)12(18)11-8(15)3-2-4-9(11)16/h2-4,10,12,15-18H,5-6H2,1H3,(H,13,14)
InChIKeyGYCMLTHGKKYWLH-UHFFFAOYSA-N
XLogP0.02
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

S-[4-(2,6-dihydroxyphenyl)-3,4-dihydroxybutyl] ethanethioate
CID 171875474
N-[4-[3-(difluoromethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171882893
N-[4-(2-acetylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171883001
N-[4-(3-bromo-4-hydroxyphenyl)-3,4-dihydroxybutyl]acetamide
CID 171884139
N-[4-(6-chloro-2-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882517
N-[3,4-dihydroxy-4-[3-(sulfanylmethyl)phenyl]butyl]acetamide
CID 171882570
N-[4-[3-(bromomethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171884117
N-[4-(3-cyanophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882773
N-[3,4-dihydroxy-4-(3-propanoylphenyl)butyl]acetamide
CID 171883380
N-[4-(4-ethylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882600
N-[3,4-dihydroxy-4-(3-nitrophenyl)butyl]acetamide
CID 171883148
N-[4-[3-(2-aminoethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171883105

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dihydroxyphenyl)-3,4-dihydroxybutyl]acetamide?
The IUPAC name of N-[4-(2,6-dihydroxyphenyl)-3,4-dihydroxybutyl]acetamide (CID 171882639) is N-[4-(2,6-dihydroxyphenyl)-3,4-dihydroxybutyl]acetamide.
What is the SMILES notation for N-[4-(2,6-dihydroxyphenyl)-3,4-dihydroxybutyl]acetamide?
The canonical SMILES for N-[4-(2,6-dihydroxyphenyl)-3,4-dihydroxybutyl]acetamide is CC(=O)NCCC(O)C(O)c1c(O)cccc1O.
What is the InChIKey of N-[4-(2,6-dihydroxyphenyl)-3,4-dihydroxybutyl]acetamide?
The InChIKey is GYCMLTHGKKYWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-7(14)13-6-5-10(17)12(18)11-8(15)3-2-4-9(11)16/h2-4,10,12,15-18H,5-6H2,1H3,(H,13,14).
What are the key properties of N-[4-(2,6-dihydroxyphenyl)-3,4-dihydroxybutyl]acetamide?
N-[4-(2,6-dihydroxyphenyl)-3,4-dihydroxybutyl]acetamide has a molecular weight of 255.27 g/mol, XLogP of 0.02, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dihydroxyphenyl)-3,4-dihydroxybutyl]acetamide is sourced from PubChem (CID 171882639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).