N-ethyl-3-(4-formyl-2-methoxyphenoxy)propanamide

C13H17NO4 — CID 62326485

IUPACN-ethyl-3-(4-formyl-2-methoxyphenoxy)propanamide
SMILESCCNC(=O)CCOc1ccc(C=O)cc1OC
InChIInChI=1S/C13H17NO4/c1-3-14-13(16)6-7-18-11-5-4-10(9-15)8-12(11)17-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,14,16)
InChIKeySBFBINXXXVKHQC-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.41
Rot. Bonds7

About N-ethyl-3-(4-formyl-2-methoxyphenoxy)propanamide

N-ethyl-3-(4-formyl-2-methoxyphenoxy)propanamide (PubChem CID 62326485) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-ethyl-3-(4-formyl-2-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(4-formyl-2-methoxyphenoxy)propanamide
PubChem CID62326485
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC NameN-ethyl-3-(4-formyl-2-methoxyphenoxy)propanamide
SMILESCCNC(=O)CCOc1ccc(C=O)cc1OC
InChIInChI=1S/C13H17NO4/c1-3-14-13(16)6-7-18-11-5-4-10(9-15)8-12(11)17-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,14,16)
InChIKeySBFBINXXXVKHQC-UHFFFAOYSA-N
XLogP1.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-3-(5-formyl-2-nitrophenoxy)propanamide
CID 62326492
3-(4-formyl-2-methoxyphenoxy)-N-(2-methyl-2-pyrazol-1-ylpropyl)propanamide
CID 126842066
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
CID 2110936
methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
N-ethyl-2-(5-formyl-2-methoxyphenoxy)propanamide
CID 43085567
N-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-3-(4-formyl-2-methoxyphenoxy)propanamide
CID 97352393
4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde
CID 59839085
2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 9480867
4-(3-hydroxypentoxy)-3-methoxybenzaldehyde
CID 174669406

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-formyl-2-methoxyphenoxy)propanamide?
The IUPAC name of N-ethyl-3-(4-formyl-2-methoxyphenoxy)propanamide (CID 62326485) is N-ethyl-3-(4-formyl-2-methoxyphenoxy)propanamide.
What is the SMILES notation for N-ethyl-3-(4-formyl-2-methoxyphenoxy)propanamide?
The canonical SMILES for N-ethyl-3-(4-formyl-2-methoxyphenoxy)propanamide is CCNC(=O)CCOc1ccc(C=O)cc1OC.
What is the InChIKey of N-ethyl-3-(4-formyl-2-methoxyphenoxy)propanamide?
The InChIKey is SBFBINXXXVKHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-3-14-13(16)6-7-18-11-5-4-10(9-15)8-12(11)17-2/h4-5,8-9H,3,6-7H2,1-2H3,(H,14,16).
What are the key properties of N-ethyl-3-(4-formyl-2-methoxyphenoxy)propanamide?
N-ethyl-3-(4-formyl-2-methoxyphenoxy)propanamide has a molecular weight of 251.28 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-formyl-2-methoxyphenoxy)propanamide is sourced from PubChem (CID 62326485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).