3-ethoxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide

C14H21NO3 — CID 62590459

IUPAC3-ethoxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide
SMILESCCOCCC(=O)N(C)C(C)c1ccccc1O
InChIInChI=1S/C14H21NO3/c1-4-18-10-9-14(17)15(3)11(2)12-7-5-6-8-13(12)16/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyMRKTZBDMFWQJQE-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.34
Rot. Bonds6

About 3-ethoxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide

3-ethoxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide (PubChem CID 62590459) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-ethoxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-ethoxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide
PubChem CID62590459
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-ethoxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide
SMILESCCOCCC(=O)N(C)C(C)c1ccccc1O
InChIInChI=1S/C14H21NO3/c1-4-18-10-9-14(17)15(3)11(2)12-7-5-6-8-13(12)16/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyMRKTZBDMFWQJQE-UHFFFAOYSA-N
XLogP2.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-hydroxyphenyl)ethyl]-N-methylpentanamide
CID 54916026
6-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,4,4-trimethylhexanamide
CID 65292237
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-pyridin-2-ylpropanamide
CID 81449728
4-amino-N-[1-(2-hydroxyphenyl)ethyl]-N,3-dimethylbutanamide
CID 81087863
methyl N-[1-(2-hydroxyphenyl)ethyl]-N-methylcarbamate
CID 61044422
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 61043693
2-(cyclopropylmethylamino)-N-[1-(2-hydroxyphenyl)ethyl]-N-methylacetamide
CID 54874331
(2S)-2-amino-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbutanamide
CID 79024859
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 54913397
2-hydroxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61042835
N,N-diethyl-2-[1-(2-hydroxyphenyl)ethyl-methylamino]acetamide
CID 82723076
N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61364284

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide?
The IUPAC name of 3-ethoxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide (CID 62590459) is 3-ethoxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-ethoxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide?
The canonical SMILES for 3-ethoxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide is CCOCCC(=O)N(C)C(C)c1ccccc1O.
What is the InChIKey of 3-ethoxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide?
The InChIKey is MRKTZBDMFWQJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-18-10-9-14(17)15(3)11(2)12-7-5-6-8-13(12)16/h5-8,11,16H,4,9-10H2,1-3H3.
What are the key properties of 3-ethoxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide?
3-ethoxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide has a molecular weight of 251.33 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[1-(2-hydroxyphenyl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 62590459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).