2-[4-[[2-(3-methoxyphenoxy)acetyl]amino]but-2-ynoxy]benzamide

C20H20N2O5 — CID 90580499

IUPAC2-[4-[[2-(3-methoxyphenoxy)acetyl]amino]but-2-ynoxy]benzamide
SMILESCOc1cccc(OCC(=O)NCC#CCOc2ccccc2C(N)=O)c1
InChIInChI=1S/C20H20N2O5/c1-25-15-7-6-8-16(13-15)27-14-19(23)22-11-4-5-12-26-18-10-3-2-9-17(18)20(21)24/h2-3,6-10,13H,11-12,14H2,1H3,(H2,21,24)(H,22,23)
InChIKeyDLJOSVFRPAHUII-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.37
Rot. Bonds8

About 2-[4-[[2-(3-methoxyphenoxy)acetyl]amino]but-2-ynoxy]benzamide

2-[4-[[2-(3-methoxyphenoxy)acetyl]amino]but-2-ynoxy]benzamide (PubChem CID 90580499) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[4-[[2-(3-methoxyphenoxy)acetyl]amino]but-2-ynoxy]benzamide.

Molecular Properties

Compound Name2-[4-[[2-(3-methoxyphenoxy)acetyl]amino]but-2-ynoxy]benzamide
PubChem CID90580499
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name2-[4-[[2-(3-methoxyphenoxy)acetyl]amino]but-2-ynoxy]benzamide
SMILESCOc1cccc(OCC(=O)NCC#CCOc2ccccc2C(N)=O)c1
InChIInChI=1S/C20H20N2O5/c1-25-15-7-6-8-16(13-15)27-14-19(23)22-11-4-5-12-26-18-10-3-2-9-17(18)20(21)24/h2-3,6-10,13H,11-12,14H2,1H3,(H2,21,24)(H,22,23)
InChIKeyDLJOSVFRPAHUII-UHFFFAOYSA-N
XLogP1.37
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578119
2-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]benzamide
CID 90580585
2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]but-2-ynoxy]benzamide
CID 71803254
2-(4-ethoxyphenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
CID 90575591
2-(4-fluorophenoxy)-N-[4-(2-methoxyphenoxy)but-2-ynyl]acetamide
CID 71802909
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-6-methoxy-1H-indole-2-carboxamide
CID 90580572
2-(4-benzamidobut-2-ynoxy)benzamide
CID 90580452
N-[4-(2-carbamoylphenoxy)but-2-ynyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 90580562
2-[4-[(2-thiophen-2-ylacetyl)amino]but-2-ynoxy]benzamide
CID 71803258
N-[4-(2-carbamoylphenoxy)but-2-ynyl]naphthalene-2-carboxamide
CID 90580490
ethyl 2-[4-(2-carbamoylphenoxy)but-2-ynylamino]-2-oxoacetate
CID 90580446
2-[4-[(2-pyrazol-1-ylacetyl)amino]but-2-ynoxy]benzamide
CID 90580568

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-methoxyphenoxy)acetyl]amino]but-2-ynoxy]benzamide?
The IUPAC name of 2-[4-[[2-(3-methoxyphenoxy)acetyl]amino]but-2-ynoxy]benzamide (CID 90580499) is 2-[4-[[2-(3-methoxyphenoxy)acetyl]amino]but-2-ynoxy]benzamide.
What is the SMILES notation for 2-[4-[[2-(3-methoxyphenoxy)acetyl]amino]but-2-ynoxy]benzamide?
The canonical SMILES for 2-[4-[[2-(3-methoxyphenoxy)acetyl]amino]but-2-ynoxy]benzamide is COc1cccc(OCC(=O)NCC#CCOc2ccccc2C(N)=O)c1.
What is the InChIKey of 2-[4-[[2-(3-methoxyphenoxy)acetyl]amino]but-2-ynoxy]benzamide?
The InChIKey is DLJOSVFRPAHUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-25-15-7-6-8-16(13-15)27-14-19(23)22-11-4-5-12-26-18-10-3-2-9-17(18)20(21)24/h2-3,6-10,13H,11-12,14H2,1H3,(H2,21,24)(H,22,23).
What are the key properties of 2-[4-[[2-(3-methoxyphenoxy)acetyl]amino]but-2-ynoxy]benzamide?
2-[4-[[2-(3-methoxyphenoxy)acetyl]amino]but-2-ynoxy]benzamide has a molecular weight of 368.39 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-methoxyphenoxy)acetyl]amino]but-2-ynoxy]benzamide is sourced from PubChem (CID 90580499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).