N-[3,4-dihydroxy-4-[4-(2-hydroxyethyl)phenyl]butyl]acetamide

C14H21NO4 — CID 171882991

IUPACN-[3,4-dihydroxy-4-[4-(2-hydroxyethyl)phenyl]butyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1ccc(CCO)cc1
InChIInChI=1S/C14H21NO4/c1-10(17)15-8-6-13(18)14(19)12-4-2-11(3-5-12)7-9-16/h2-5,13-14,16,18-19H,6-9H2,1H3,(H,15,17)
InChIKeyDRPSSKLIRGAEQT-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.14
Rot. Bonds7

About N-[3,4-dihydroxy-4-[4-(2-hydroxyethyl)phenyl]butyl]acetamide

N-[3,4-dihydroxy-4-[4-(2-hydroxyethyl)phenyl]butyl]acetamide (PubChem CID 171882991) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-[3,4-dihydroxy-4-[4-(2-hydroxyethyl)phenyl]butyl]acetamide.

Molecular Properties

Compound NameN-[3,4-dihydroxy-4-[4-(2-hydroxyethyl)phenyl]butyl]acetamide
PubChem CID171882991
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-[3,4-dihydroxy-4-[4-(2-hydroxyethyl)phenyl]butyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1ccc(CCO)cc1
InChIInChI=1S/C14H21NO4/c1-10(17)15-8-6-13(18)14(19)12-4-2-11(3-5-12)7-9-16/h2-5,13-14,16,18-19H,6-9H2,1H3,(H,15,17)
InChIKeyDRPSSKLIRGAEQT-UHFFFAOYSA-N
XLogP0.14
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-ethylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882600
N-[3,4-dihydroxy-4-[4-(2-methylpropyl)phenyl]butyl]acetamide
CID 171883301
4-(4-acetamido-1,2-dihydroxybutyl)-N-methylbenzamide
CID 171883542
4-(4-acetamido-1,2-dihydroxybutyl)benzenesulfonyl fluoride
CID 171883365
1-[4-(3-hydroxypropyl)phenyl]-4-(methylamino)butane-1,2-diol
CID 171890551
N-[4-(3,5-dichlorophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882625
N-[4-[3-(bromomethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171884117
3,4-dihydroxy-4-[4-(2-hydroxyethyl)phenyl]butanoic acid
CID 171877617
N-[4-(3-chloro-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882590
N-[4-(3-amino-4-methylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882789
N-[4-[4-chloro-3-(hydroxymethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171882949
N-[4-(3-bromo-4-hydroxyphenyl)-3,4-dihydroxybutyl]acetamide
CID 171884139

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydroxy-4-[4-(2-hydroxyethyl)phenyl]butyl]acetamide?
The IUPAC name of N-[3,4-dihydroxy-4-[4-(2-hydroxyethyl)phenyl]butyl]acetamide (CID 171882991) is N-[3,4-dihydroxy-4-[4-(2-hydroxyethyl)phenyl]butyl]acetamide.
What is the SMILES notation for N-[3,4-dihydroxy-4-[4-(2-hydroxyethyl)phenyl]butyl]acetamide?
The canonical SMILES for N-[3,4-dihydroxy-4-[4-(2-hydroxyethyl)phenyl]butyl]acetamide is CC(=O)NCCC(O)C(O)c1ccc(CCO)cc1.
What is the InChIKey of N-[3,4-dihydroxy-4-[4-(2-hydroxyethyl)phenyl]butyl]acetamide?
The InChIKey is DRPSSKLIRGAEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10(17)15-8-6-13(18)14(19)12-4-2-11(3-5-12)7-9-16/h2-5,13-14,16,18-19H,6-9H2,1H3,(H,15,17).
What are the key properties of N-[3,4-dihydroxy-4-[4-(2-hydroxyethyl)phenyl]butyl]acetamide?
N-[3,4-dihydroxy-4-[4-(2-hydroxyethyl)phenyl]butyl]acetamide has a molecular weight of 267.32 g/mol, XLogP of 0.14, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydroxy-4-[4-(2-hydroxyethyl)phenyl]butyl]acetamide is sourced from PubChem (CID 171882991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).