2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide

C16H25NO4 — CID 43117629

IUPAC2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide
SMILESCCOc1cc(CO)ccc1OC(C)C(=O)NCC(C)C
InChIInChI=1S/C16H25NO4/c1-5-20-15-8-13(10-18)6-7-14(15)21-12(4)16(19)17-9-11(2)3/h6-8,11-12,18H,5,9-10H2,1-4H3,(H,17,19)
InChIKeyVANDOFNOSSOFCT-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.12
Rot. Bonds8

About 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide

2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide (PubChem CID 43117629) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide
PubChem CID43117629
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide
SMILESCCOc1cc(CO)ccc1OC(C)C(=O)NCC(C)C
InChIInChI=1S/C16H25NO4/c1-5-20-15-8-13(10-18)6-7-14(15)21-12(4)16(19)17-9-11(2)3/h6-8,11-12,18H,5,9-10H2,1-4H3,(H,17,19)
InChIKeyVANDOFNOSSOFCT-UHFFFAOYSA-N
XLogP2.12
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 107690685
3-(3,4-diethoxyphenyl)-N-(2-methylpropyl)propanamide
CID 92680043
N-[(3,4-diethoxyphenyl)methyl]-2-(2-ethylphenoxy)propanamide
CID 43907670
2-[4-(aminomethyl)-2-ethoxyphenoxy]-N-prop-2-enylpropanamide
CID 60878105
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-ethylpropanamide
CID 63052140
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-N-(2-methylpropyl)propanamide
CID 43267928
2-[5-(2-aminoethyl)-2-methoxyphenoxy]-N-(2-methylpropyl)propanamide
CID 60904983
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-propan-2-ylpropanamide
CID 60906218
2-[2-fluoro-4-(hydroxymethyl)phenoxy]-N-(3-methylbutyl)propanamide
CID 107690610
(2R)-2-[3-(3,4-diethoxyphenyl)propanoyl-(2-phenylethyl)amino]-N-(2-methylpropyl)butanamide
CID 100514313
2-[2-ethoxy-4-(propylaminomethyl)phenoxy]-N-methylpropanamide
CID 43278181

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide (CID 43117629) is 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide is CCOc1cc(CO)ccc1OC(C)C(=O)NCC(C)C.
What is the InChIKey of 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide?
The InChIKey is VANDOFNOSSOFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-5-20-15-8-13(10-18)6-7-14(15)21-12(4)16(19)17-9-11(2)3/h6-8,11-12,18H,5,9-10H2,1-4H3,(H,17,19).
What are the key properties of 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide?
2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide has a molecular weight of 295.38 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-(hydroxymethyl)phenoxy]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 43117629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).