N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide

C12H17NO3 — CID 61015482

IUPACN-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
SMILESCCOc1ccc(NC(=O)CC)cc1CO
InChIInChI=1S/C12H17NO3/c1-3-12(15)13-10-5-6-11(16-4-2)9(7-10)8-14/h5-7,14H,3-4,8H2,1-2H3,(H,13,15)
InChIKeyMCNARZNZNWMBMQ-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.93
Rot. Bonds5

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

N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide (PubChem CID 61015482) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
PubChem CID61015482
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
SMILESCCOc1ccc(NC(=O)CC)cc1CO
InChIInChI=1S/C12H17NO3/c1-3-12(15)13-10-5-6-11(16-4-2)9(7-10)8-14/h5-7,14H,3-4,8H2,1-2H3,(H,13,15)
InChIKeyMCNARZNZNWMBMQ-UHFFFAOYSA-N
XLogP1.93
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-ethoxy-3-(hydroxymethyl)anilino]-3-oxopropanoic acid
CID 62231238
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide
CID 54903166
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
2-amino-N-[2-[4-ethoxy-3-(hydroxymethyl)anilino]-2-oxoethyl]acetamide
CID 60980090
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-methylsulfonylpropanamide
CID 61014839
6-amino-N-[4-ethoxy-3-(hydroxymethyl)phenyl]hexanamide
CID 60980339
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide
CID 103513891
3-(aminomethyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]pentanamide
CID 81087961

Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide?
The IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide (CID 61015482) is N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide.
What is the SMILES notation for N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide?
The canonical SMILES for N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide is CCOc1ccc(NC(=O)CC)cc1CO.
What is the InChIKey of N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide?
The InChIKey is MCNARZNZNWMBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-12(15)13-10-5-6-11(16-4-2)9(7-10)8-14/h5-7,14H,3-4,8H2,1-2H3,(H,13,15).
What are the key properties of N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide?
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide has a molecular weight of 223.27 g/mol, XLogP of 1.93, 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]propanamide is sourced from PubChem (CID 61015482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).