4-hydroxy-N-[2-(2,3,4-trimethylphenyl)ethyl]butanamide

C15H23NO2 — CID 115163128

IUPAC4-hydroxy-N-[2-(2,3,4-trimethylphenyl)ethyl]butanamide
SMILESCc1ccc(CCNC(=O)CCCO)c(C)c1C
InChIInChI=1S/C15H23NO2/c1-11-6-7-14(13(3)12(11)2)8-9-16-15(18)5-4-10-17/h6-7,17H,4-5,8-10H2,1-3H3,(H,16,18)
InChIKeyGVTGIEGNNHABKT-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.04
Rot. Bonds6

About 4-hydroxy-N-[2-(2,3,4-trimethylphenyl)ethyl]butanamide

4-hydroxy-N-[2-(2,3,4-trimethylphenyl)ethyl]butanamide (PubChem CID 115163128) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(2,3,4-trimethylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-(2,3,4-trimethylphenyl)ethyl]butanamide
PubChem CID115163128
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-hydroxy-N-[2-(2,3,4-trimethylphenyl)ethyl]butanamide
SMILESCc1ccc(CCNC(=O)CCCO)c(C)c1C
InChIInChI=1S/C15H23NO2/c1-11-6-7-14(13(3)12(11)2)8-9-16-15(18)5-4-10-17/h6-7,17H,4-5,8-10H2,1-3H3,(H,16,18)
InChIKeyGVTGIEGNNHABKT-UHFFFAOYSA-N
XLogP2.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide
CID 115163104
3-chloro-N-[2-(2,3,4-trimethylphenyl)ethyl]propanamide
CID 115162661
N'-methyl-4-(2,3,4-trimethylphenyl)butanehydrazide
CID 116846569
2-(propan-2-ylamino)-N-[2-(2,3,4-trimethylphenyl)ethyl]acetamide
CID 115158323
4-hydroxy-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]butanamide
CID 115163102
2-methyl-3-oxo-3-[2-(2,3,4-trimethylphenyl)ethylamino]propanoic acid
CID 115164361
4-[2-(2,3,4-trimethylphenyl)ethylamino]butanoic acid
CID 115218755
4-hydroxy-N-[2-(4-hydroxybutanoylamino)ethyl]butanamide
CID 95562402
1-cyano-N-[2-(2,3,4-trimethylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115181711
4-hydroxy-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 94689915
5-[2-(2-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 78911171
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(2,3,4-trimethylphenyl)ethyl]butanamide?
The IUPAC name of 4-hydroxy-N-[2-(2,3,4-trimethylphenyl)ethyl]butanamide (CID 115163128) is 4-hydroxy-N-[2-(2,3,4-trimethylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-hydroxy-N-[2-(2,3,4-trimethylphenyl)ethyl]butanamide?
The canonical SMILES for 4-hydroxy-N-[2-(2,3,4-trimethylphenyl)ethyl]butanamide is Cc1ccc(CCNC(=O)CCCO)c(C)c1C.
What is the InChIKey of 4-hydroxy-N-[2-(2,3,4-trimethylphenyl)ethyl]butanamide?
The InChIKey is GVTGIEGNNHABKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-6-7-14(13(3)12(11)2)8-9-16-15(18)5-4-10-17/h6-7,17H,4-5,8-10H2,1-3H3,(H,16,18).
What are the key properties of 4-hydroxy-N-[2-(2,3,4-trimethylphenyl)ethyl]butanamide?
4-hydroxy-N-[2-(2,3,4-trimethylphenyl)ethyl]butanamide has a molecular weight of 249.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(2,3,4-trimethylphenyl)ethyl]butanamide is sourced from PubChem (CID 115163128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).