N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide

C15H21NO4 — CID 65155965

IUPACN-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide
SMILESCCOc1ccc(NC(=O)CC2CCCO2)cc1CO
InChIInChI=1S/C15H21NO4/c1-2-19-14-6-5-12(8-11(14)10-17)16-15(18)9-13-4-3-7-20-13/h5-6,8,13,17H,2-4,7,9-10H2,1H3,(H,16,18)
InChIKeyKTFOAZNTYAQWIL-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.09
Rot. Bonds6

About N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide (PubChem CID 65155965) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide
PubChem CID65155965
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide
SMILESCCOc1ccc(NC(=O)CC2CCCO2)cc1CO
InChIInChI=1S/C15H21NO4/c1-2-19-14-6-5-12(8-11(14)10-17)16-15(18)9-13-4-3-7-20-13/h5-6,8,13,17H,2-4,7,9-10H2,1H3,(H,16,18)
InChIKeyKTFOAZNTYAQWIL-UHFFFAOYSA-N
XLogP2.09
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)-4-ethoxyphenyl]-2-(oxolan-2-yl)acetamide
CID 65159293
(2S)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]oxolane-2-carboxamide
CID 93441465
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
3-[4-ethoxy-3-(hydroxymethyl)anilino]-3-oxopropanoic acid
CID 62231238
N-(4-ethylphenyl)-2-(oxolan-2-yl)acetamide
CID 110696629
N-[3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide
CID 65155963
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 54880178
3-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 54880126
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-5-hydroxypentanamide
CID 79191202
2-[2-chloro-4-[[2-[(2S)-oxan-2-yl]acetyl]amino]phenoxy]acetic acid
CID 129469734
2-[2-chloro-4-[[2-(oxan-2-yl)acetyl]amino]phenoxy]acetic acid
CID 120688629
N-(3,5-dimethylphenyl)-2-(oxolan-2-yl)acetamide
CID 47209277

Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide (CID 65155965) is N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide is CCOc1ccc(NC(=O)CC2CCCO2)cc1CO.
What is the InChIKey of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide?
The InChIKey is KTFOAZNTYAQWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-2-19-14-6-5-12(8-11(14)10-17)16-15(18)9-13-4-3-7-20-13/h5-6,8,13,17H,2-4,7,9-10H2,1H3,(H,16,18).
What are the key properties of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide?
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 65155965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).