N-(4-ethylphenyl)-2-(4-formylphenoxy)propanamide

C18H19NO3 — CID 23409645

IUPACN-(4-ethylphenyl)-2-(4-formylphenoxy)propanamide
SMILESCCc1ccc(NC(=O)C(C)Oc2ccc(C=O)cc2)cc1
InChIInChI=1S/C18H19NO3/c1-3-14-4-8-16(9-5-14)19-18(21)13(2)22-17-10-6-15(12-20)7-11-17/h4-13H,3H2,1-2H3,(H,19,21)
InChIKeyUYQMTEVRBFLEGV-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.47
Rot. Bonds6

About N-(4-ethylphenyl)-2-(4-formylphenoxy)propanamide

N-(4-ethylphenyl)-2-(4-formylphenoxy)propanamide (PubChem CID 23409645) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(4-formylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(4-formylphenoxy)propanamide
PubChem CID23409645
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-(4-ethylphenyl)-2-(4-formylphenoxy)propanamide
SMILESCCc1ccc(NC(=O)C(C)Oc2ccc(C=O)cc2)cc1
InChIInChI=1S/C18H19NO3/c1-3-14-4-8-16(9-5-14)19-18(21)13(2)22-17-10-6-15(12-20)7-11-17/h4-13H,3H2,1-2H3,(H,19,21)
InChIKeyUYQMTEVRBFLEGV-UHFFFAOYSA-N
XLogP3.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953258
N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)propanamide
CID 4953277
2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide
CID 132791420
(2S)-2-(4-tert-butylphenoxy)-N-(4-ethylphenyl)propanamide
CID 7703328
(2S)-N-(4-ethylphenyl)-2-(4-propanoylphenoxy)propanamide
CID 8604722
(2S)-2-(4-ethylphenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 9237321
(2S)-2-(2-ethoxy-4-formylphenoxy)-N-(4-ethylphenyl)propanamide
CID 8009470
N-ethyl-4-[2-(4-ethylphenoxy)propanoylamino]benzamide
CID 17234371
2-(4-ethylphenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4953412
(2R)-2-(3,5-dimethylphenoxy)-N-(4-ethylphenyl)propanamide
CID 40746967
4-[1-(4-ethylanilino)-1-oxopropan-2-yl]oxy-N-(4-fluorophenyl)benzamide
CID 3691715
2-(4-chlorophenoxy)-N-[4-[[4-[2-(4-chlorophenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 4944300

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(4-formylphenoxy)propanamide?
The IUPAC name of N-(4-ethylphenyl)-2-(4-formylphenoxy)propanamide (CID 23409645) is N-(4-ethylphenyl)-2-(4-formylphenoxy)propanamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(4-formylphenoxy)propanamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(4-formylphenoxy)propanamide is CCc1ccc(NC(=O)C(C)Oc2ccc(C=O)cc2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(4-formylphenoxy)propanamide?
The InChIKey is UYQMTEVRBFLEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-3-14-4-8-16(9-5-14)19-18(21)13(2)22-17-10-6-15(12-20)7-11-17/h4-13H,3H2,1-2H3,(H,19,21).
What are the key properties of N-(4-ethylphenyl)-2-(4-formylphenoxy)propanamide?
N-(4-ethylphenyl)-2-(4-formylphenoxy)propanamide has a molecular weight of 297.35 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(4-formylphenoxy)propanamide is sourced from PubChem (CID 23409645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).