N-(3-ethynylphenyl)-2-(4-methoxyphenoxy)propanamide

C18H17NO3 — CID 51337878

IUPACN-(3-ethynylphenyl)-2-(4-methoxyphenoxy)propanamide
SMILESC#Cc1cccc(NC(=O)C(C)Oc2ccc(OC)cc2)c1
InChIInChI=1S/C18H17NO3/c1-4-14-6-5-7-15(12-14)19-18(20)13(2)22-17-10-8-16(21-3)9-11-17/h1,5-13H,2-3H3,(H,19,20)
InChIKeyMKPBKFCSILKQFZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.08
Rot. Bonds5

About N-(3-ethynylphenyl)-2-(4-methoxyphenoxy)propanamide

N-(3-ethynylphenyl)-2-(4-methoxyphenoxy)propanamide (PubChem CID 51337878) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(3-ethynylphenyl)-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-ethynylphenyl)-2-(4-methoxyphenoxy)propanamide
PubChem CID51337878
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC NameN-(3-ethynylphenyl)-2-(4-methoxyphenoxy)propanamide
SMILESC#Cc1cccc(NC(=O)C(C)Oc2ccc(OC)cc2)c1
InChIInChI=1S/C18H17NO3/c1-4-14-6-5-7-15(12-14)19-18(20)13(2)22-17-10-8-16(21-3)9-11-17/h1,5-13H,2-3H3,(H,19,20)
InChIKeyMKPBKFCSILKQFZ-UHFFFAOYSA-N
XLogP3.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 51140373
(2S)-2-(4-methoxyphenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 42064328
2-(4-acetamidophenoxy)-N-(3-methoxyphenyl)propanamide
CID 4884235
(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
CID 7642457
(2R)-2-(3-cyanophenoxy)-N-(3-methoxyphenyl)propanamide
CID 7964267
2-(3-methoxyphenoxy)-N-(4-methoxyphenyl)propanamide
CID 19203873
N-(3-ethynylphenyl)-4-propan-2-yloxybenzamide
CID 24676247
2-(4-acetylphenoxy)-N-(3-cyanophenyl)propanamide
CID 17450699
(2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2203307
2-(3-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 2793539
2-(3-ethynylanilino)-N-(4-methoxyphenyl)acetamide
CID 28564126
(2R)-N-(3-cyanophenyl)-2-(4-phenylmethoxyphenoxy)propanamide
CID 7950503

Frequently Asked Questions

What is the IUPAC name of N-(3-ethynylphenyl)-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-(3-ethynylphenyl)-2-(4-methoxyphenoxy)propanamide (CID 51337878) is N-(3-ethynylphenyl)-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-(3-ethynylphenyl)-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-(3-ethynylphenyl)-2-(4-methoxyphenoxy)propanamide is C#Cc1cccc(NC(=O)C(C)Oc2ccc(OC)cc2)c1.
What is the InChIKey of N-(3-ethynylphenyl)-2-(4-methoxyphenoxy)propanamide?
The InChIKey is MKPBKFCSILKQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-4-14-6-5-7-15(12-14)19-18(20)13(2)22-17-10-8-16(21-3)9-11-17/h1,5-13H,2-3H3,(H,19,20).
What are the key properties of N-(3-ethynylphenyl)-2-(4-methoxyphenoxy)propanamide?
N-(3-ethynylphenyl)-2-(4-methoxyphenoxy)propanamide has a molecular weight of 295.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethynylphenyl)-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 51337878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).