N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide

C13H19NO3 — CID 61015215

IUPACN-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
SMILESCCOc1ccc(NC(=O)C(C)C)cc1CO
InChIInChI=1S/C13H19NO3/c1-4-17-12-6-5-11(7-10(12)8-15)14-13(16)9(2)3/h5-7,9,15H,4,8H2,1-3H3,(H,14,16)
InChIKeyFEUGUJWQAXAREJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.17
Rot. Bonds5

About N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide (PubChem CID 61015215) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
PubChem CID61015215
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
SMILESCCOc1ccc(NC(=O)C(C)C)cc1CO
InChIInChI=1S/C13H19NO3/c1-4-17-12-6-5-11(7-10(12)8-15)14-13(16)9(2)3/h5-7,9,15H,4,8H2,1-3H3,(H,14,16)
InChIKeyFEUGUJWQAXAREJ-UHFFFAOYSA-N
XLogP2.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 54880153
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide
CID 103513891
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide
CID 79201568
2-bromo-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-methylbutanamide
CID 54880127
N-[3-(chloromethyl)-4-ethoxyphenyl]-2-methylpropanamide
CID 114302916
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
CID 61015482
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 54880178
3-[4-ethoxy-3-(hydroxymethyl)anilino]-3-oxopropanoic acid
CID 62231238
(2S)-2-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylsulfanylbutanamide
CID 61164985
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 54903166
N-[3-(aminomethyl)-4-ethoxyphenyl]-2-methylbutanamide
CID 63755309

Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide (CID 61015215) is N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide is CCOc1ccc(NC(=O)C(C)C)cc1CO.
What is the InChIKey of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide?
The InChIKey is FEUGUJWQAXAREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-17-12-6-5-11(7-10(12)8-15)14-13(16)9(2)3/h5-7,9,15H,4,8H2,1-3H3,(H,14,16).
What are the key properties of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide?
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide has a molecular weight of 237.30 g/mol, XLogP of 2.17, 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]-2-methylpropanamide is sourced from PubChem (CID 61015215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).