N-(3-ethynylphenyl)-2-[[2-(4-propanoylphenoxy)acetyl]amino]acetamide

C21H20N2O4 — CID 55836547

IUPACN-(3-ethynylphenyl)-2-[[2-(4-propanoylphenoxy)acetyl]amino]acetamide
SMILESC#Cc1cccc(NC(=O)CNC(=O)COc2ccc(C(=O)CC)cc2)c1
InChIInChI=1S/C21H20N2O4/c1-3-15-6-5-7-17(12-15)23-20(25)13-22-21(26)14-27-18-10-8-16(9-11-18)19(24)4-2/h1,5-12H,4,13-14H2,2H3,(H,22,26)(H,23,25)
InChIKeyQVBUVXFGGCQIBQ-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.39
Rot. Bonds8

About N-(3-ethynylphenyl)-2-[[2-(4-propanoylphenoxy)acetyl]amino]acetamide

N-(3-ethynylphenyl)-2-[[2-(4-propanoylphenoxy)acetyl]amino]acetamide (PubChem CID 55836547) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is N-(3-ethynylphenyl)-2-[[2-(4-propanoylphenoxy)acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-ethynylphenyl)-2-[[2-(4-propanoylphenoxy)acetyl]amino]acetamide
PubChem CID55836547
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC NameN-(3-ethynylphenyl)-2-[[2-(4-propanoylphenoxy)acetyl]amino]acetamide
SMILESC#Cc1cccc(NC(=O)CNC(=O)COc2ccc(C(=O)CC)cc2)c1
InChIInChI=1S/C21H20N2O4/c1-3-15-6-5-7-17(12-15)23-20(25)13-22-21(26)14-27-18-10-8-16(9-11-18)19(24)4-2/h1,5-12H,4,13-14H2,2H3,(H,22,26)(H,23,25)
InChIKeyQVBUVXFGGCQIBQ-UHFFFAOYSA-N
XLogP2.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-ethynylanilino)-2-oxoethyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55834895
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-(4-propanoylphenoxy)acetamide
CID 34875030
N-(3-ethynylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 46420198
2-acetamido-N-(3-ethynylphenyl)acetamide
CID 47147171
2-(4-propanoylphenoxy)-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
CID 18283760
4-tert-butyl-N-[2-(3-ethynylanilino)-2-oxoethyl]benzamide
CID 31063301
3-ethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-4-methoxybenzamide
CID 55834639
tert-butyl N-[2-(3-ethynylanilino)-2-oxoethyl]carbamate
CID 47451721
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-ethynylanilino)-2-oxoethyl]propanamide
CID 55836397
4-butoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylbenzamide
CID 55835518
N-(3-bromophenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 113000525
2-(3-bromophenoxy)-N-(3-ethynylphenyl)acetamide
CID 46584991

Frequently Asked Questions

What is the IUPAC name of N-(3-ethynylphenyl)-2-[[2-(4-propanoylphenoxy)acetyl]amino]acetamide?
The IUPAC name of N-(3-ethynylphenyl)-2-[[2-(4-propanoylphenoxy)acetyl]amino]acetamide (CID 55836547) is N-(3-ethynylphenyl)-2-[[2-(4-propanoylphenoxy)acetyl]amino]acetamide.
What is the SMILES notation for N-(3-ethynylphenyl)-2-[[2-(4-propanoylphenoxy)acetyl]amino]acetamide?
The canonical SMILES for N-(3-ethynylphenyl)-2-[[2-(4-propanoylphenoxy)acetyl]amino]acetamide is C#Cc1cccc(NC(=O)CNC(=O)COc2ccc(C(=O)CC)cc2)c1.
What is the InChIKey of N-(3-ethynylphenyl)-2-[[2-(4-propanoylphenoxy)acetyl]amino]acetamide?
The InChIKey is QVBUVXFGGCQIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-3-15-6-5-7-17(12-15)23-20(25)13-22-21(26)14-27-18-10-8-16(9-11-18)19(24)4-2/h1,5-12H,4,13-14H2,2H3,(H,22,26)(H,23,25).
What are the key properties of N-(3-ethynylphenyl)-2-[[2-(4-propanoylphenoxy)acetyl]amino]acetamide?
N-(3-ethynylphenyl)-2-[[2-(4-propanoylphenoxy)acetyl]amino]acetamide has a molecular weight of 364.40 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethynylphenyl)-2-[[2-(4-propanoylphenoxy)acetyl]amino]acetamide is sourced from PubChem (CID 55836547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).