N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide

C15H23NO3 — CID 54903166

IUPACN-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
SMILESCCOc1ccc(NC(=O)CC(C)(C)C)cc1CO
InChIInChI=1S/C15H23NO3/c1-5-19-13-7-6-12(8-11(13)10-17)16-14(18)9-15(2,3)4/h6-8,17H,5,9-10H2,1-4H3,(H,16,18)
InChIKeyXWABHTMEUQMYKL-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.95
Rot. Bonds5

About N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide (PubChem CID 54903166) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
PubChem CID54903166
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
SMILESCCOc1ccc(NC(=O)CC(C)(C)C)cc1CO
InChIInChI=1S/C15H23NO3/c1-5-19-13-7-6-12(8-11(13)10-17)16-14(18)9-15(2,3)4/h6-8,17H,5,9-10H2,1-4H3,(H,16,18)
InChIKeyXWABHTMEUQMYKL-UHFFFAOYSA-N
XLogP2.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(chloromethyl)-4-ethoxyphenyl]-3,3-dimethylbutanamide
CID 114302982
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
3-[4-ethoxy-3-(hydroxymethyl)anilino]-3-oxopropanoic acid
CID 62231238
N-(4-ethoxy-3-fluorophenyl)-3,3-dimethylbutanamide
CID 110777393
3-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 54880126
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-hydroxypentanamide
CID 79191202
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 54880178
[5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol
CID 61324347
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-methylsulfonylpropanamide
CID 61014839
2-amino-N-[2-[4-ethoxy-3-(hydroxymethyl)anilino]-2-oxoethyl]acetamide
CID 60980090

Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide (CID 54903166) is N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide is CCOc1ccc(NC(=O)CC(C)(C)C)cc1CO.
What is the InChIKey of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide?
The InChIKey is XWABHTMEUQMYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-19-13-7-6-12(8-11(13)10-17)16-14(18)9-15(2,3)4/h6-8,17H,5,9-10H2,1-4H3,(H,16,18).
What are the key properties of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide?
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide has a molecular weight of 265.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 54903166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).