4-hydroxy-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]butanamide

C15H23NO3 — CID 115163102

IUPAC4-hydroxy-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]butanamide
SMILESCOc1c(C)cc(C)cc1CCNC(=O)CCCO
InChIInChI=1S/C15H23NO3/c1-11-9-12(2)15(19-3)13(10-11)6-7-16-14(18)5-4-8-17/h9-10,17H,4-8H2,1-3H3,(H,16,18)
InChIKeyIBWFHHXDIFLBMD-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.74
Rot. Bonds7

About 4-hydroxy-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]butanamide

4-hydroxy-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]butanamide (PubChem CID 115163102) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]butanamide
PubChem CID115163102
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-hydroxy-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]butanamide
SMILESCOc1c(C)cc(C)cc1CCNC(=O)CCCO
InChIInChI=1S/C15H23NO3/c1-11-9-12(2)15(19-3)13(10-11)6-7-16-14(18)5-4-8-17/h9-10,17H,4-8H2,1-3H3,(H,16,18)
InChIKeyIBWFHHXDIFLBMD-UHFFFAOYSA-N
XLogP1.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]-2-oxoacetic acid
CID 115141461
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]oxamide
CID 115192109
4-hydroxy-N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]butanamide
CID 115163104
1-amino-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189955
2-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]acetic acid
CID 112518242
4-hydroxy-N-[2-(2,3,4-trimethylphenyl)ethyl]butanamide
CID 115163128
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195427
N-(3-hydroxypropyl)-2-methoxy-3,5-dimethylbenzamide
CID 96661449
3-[2-(2-methoxy-3,5-dimethylphenyl)ethylamino]-2-methylpropanoic acid
CID 115219557
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202127
(2-methoxy-3,5-dimethylphenyl)methylcarbamothioic S-acid
CID 115169975

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]butanamide?
The IUPAC name of 4-hydroxy-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]butanamide (CID 115163102) is 4-hydroxy-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-hydroxy-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]butanamide?
The canonical SMILES for 4-hydroxy-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]butanamide is COc1c(C)cc(C)cc1CCNC(=O)CCCO.
What is the InChIKey of 4-hydroxy-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]butanamide?
The InChIKey is IBWFHHXDIFLBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-9-12(2)15(19-3)13(10-11)6-7-16-14(18)5-4-8-17/h9-10,17H,4-8H2,1-3H3,(H,16,18).
What are the key properties of 4-hydroxy-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]butanamide?
4-hydroxy-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]butanamide has a molecular weight of 265.35 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]butanamide is sourced from PubChem (CID 115163102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).