N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide

C13H19NO5 — CID 112547835

IUPACN-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide
SMILESCOc1ccc(NC(=O)C(C)OC)cc1OCCO
InChIInChI=1S/C13H19NO5/c1-9(17-2)13(16)14-10-4-5-11(18-3)12(8-10)19-7-6-15/h4-5,8-9,15H,6-7H2,1-3H3,(H,14,16)
InChIKeyQHVFIWLTBMVFKM-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.04
Rot. Bonds7

About N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide

N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide (PubChem CID 112547835) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide.

Molecular Properties

Compound NameN-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide
PubChem CID112547835
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC NameN-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide
SMILESCOc1ccc(NC(=O)C(C)OC)cc1OCCO
InChIInChI=1S/C13H19NO5/c1-9(17-2)13(16)14-10-4-5-11(18-3)12(8-10)19-7-6-15/h4-5,8-9,15H,6-7H2,1-3H3,(H,14,16)
InChIKeyQHVFIWLTBMVFKM-UHFFFAOYSA-N
XLogP1.04
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide
CID 43696167
2-(aminomethyl)-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3-methylbutanamide
CID 65225450
2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 76893076
(2S)-2-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 61154260
2-hydroxyethyl N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]carbamate
CID 79346534
3-amino-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]butanamide
CID 60837190
3-[3-(2-hydroxyethoxy)-4-methoxyanilino]-3-oxopropanoic acid
CID 55049598
2-[3-(2-hydroxyethoxy)-4-methoxyanilino]propanoic acid
CID 66173740
(2S)-2-amino-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]propanamide
CID 119289355
2-methoxy-N-(4-methoxy-3-methylphenyl)propanamide
CID 47317942
(E)-4-[3-(2-hydroxyethoxy)-4-methoxyanilino]-4-oxobut-2-enoic acid
CID 60941052
3-chloro-N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2,2-dimethylpropanamide
CID 63678845

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide?
The IUPAC name of N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide (CID 112547835) is N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide.
What is the SMILES notation for N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide?
The canonical SMILES for N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide is COc1ccc(NC(=O)C(C)OC)cc1OCCO.
What is the InChIKey of N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide?
The InChIKey is QHVFIWLTBMVFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-9(17-2)13(16)14-10-4-5-11(18-3)12(8-10)19-7-6-15/h4-5,8-9,15H,6-7H2,1-3H3,(H,14,16).
What are the key properties of N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide?
N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide has a molecular weight of 269.30 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-hydroxyethoxy)-4-methoxyphenyl]-2-methoxypropanamide is sourced from PubChem (CID 112547835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).