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

C15H23NO4 — CID 171883384

IUPACN-[3,4-dihydroxy-4-[2-(3-hydroxypropyl)phenyl]butyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1ccccc1CCCO
InChIInChI=1S/C15H23NO4/c1-11(18)16-9-8-14(19)15(20)13-7-3-2-5-12(13)6-4-10-17/h2-3,5,7,14-15,17,19-20H,4,6,8-10H2,1H3,(H,16,18)
InChIKeyMWZPJSMOSHERJW-UHFFFAOYSA-N
MW281.35 g/mol
LogP0.53
Rot. Bonds8

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

N-[3,4-dihydroxy-4-[2-(3-hydroxypropyl)phenyl]butyl]acetamide (PubChem CID 171883384) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-[3,4-dihydroxy-4-[2-(3-hydroxypropyl)phenyl]butyl]acetamide.

Molecular Properties

Compound NameN-[3,4-dihydroxy-4-[2-(3-hydroxypropyl)phenyl]butyl]acetamide
PubChem CID171883384
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-[3,4-dihydroxy-4-[2-(3-hydroxypropyl)phenyl]butyl]acetamide
SMILESCC(=O)NCCC(O)C(O)c1ccccc1CCCO
InChIInChI=1S/C15H23NO4/c1-11(18)16-9-8-14(19)15(20)13-7-3-2-5-12(13)6-4-10-17/h2-3,5,7,14-15,17,19-20H,4,6,8-10H2,1H3,(H,16,18)
InChIKeyMWZPJSMOSHERJW-UHFFFAOYSA-N
XLogP0.53
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,3-dihydroxy-3-[2-(3-hydroxypropyl)phenyl]propyl]acetamide
CID 170830393
N-[4-(2-acetylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171883001
1-[2-(2-hydroxyethyl)phenyl]butane-1,2,4-triol
CID 171872248
2-[2-(3-acetamido-1,2-dihydroxypropyl)phenyl]acetic acid
CID 170830367
N-[2,3-dihydroxy-3-[2-(2-oxopropyl)phenyl]propyl]acetamide
CID 170830402
methyl 2-[2-(1,2,4-trihydroxybutyl)phenyl]acetate
CID 171872872
N-[3,4-dihydroxy-4-[4-(2-hydroxyethyl)phenyl]butyl]acetamide
CID 171882991
N-[4-(2-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882497
4-chloro-1-[2-(2-hydroxyethyl)phenyl]butane-1,2-diol
CID 171893748
N-[4-(2,6-dihydroxyphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882639
4-(methylamino)-1-[2-(methylaminomethyl)phenyl]butane-1,2-diol
CID 171890262
1-[2-(3-hydroxypropyl)phenyl]ethane-1,2-diol
CID 117286234

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydroxy-4-[2-(3-hydroxypropyl)phenyl]butyl]acetamide?
The IUPAC name of N-[3,4-dihydroxy-4-[2-(3-hydroxypropyl)phenyl]butyl]acetamide (CID 171883384) is N-[3,4-dihydroxy-4-[2-(3-hydroxypropyl)phenyl]butyl]acetamide.
What is the SMILES notation for N-[3,4-dihydroxy-4-[2-(3-hydroxypropyl)phenyl]butyl]acetamide?
The canonical SMILES for N-[3,4-dihydroxy-4-[2-(3-hydroxypropyl)phenyl]butyl]acetamide is CC(=O)NCCC(O)C(O)c1ccccc1CCCO.
What is the InChIKey of N-[3,4-dihydroxy-4-[2-(3-hydroxypropyl)phenyl]butyl]acetamide?
The InChIKey is MWZPJSMOSHERJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-11(18)16-9-8-14(19)15(20)13-7-3-2-5-12(13)6-4-10-17/h2-3,5,7,14-15,17,19-20H,4,6,8-10H2,1H3,(H,16,18).
What are the key properties of N-[3,4-dihydroxy-4-[2-(3-hydroxypropyl)phenyl]butyl]acetamide?
N-[3,4-dihydroxy-4-[2-(3-hydroxypropyl)phenyl]butyl]acetamide has a molecular weight of 281.35 g/mol, XLogP of 0.53, 8 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-[2-(3-hydroxypropyl)phenyl]butyl]acetamide is sourced from PubChem (CID 171883384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).