2-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]benzamide

C19H19N3O4 — CID 90580585

IUPAC2-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]benzamide
SMILESCOc1cccc(NC(=O)NCC#CCOc2ccccc2C(N)=O)c1
InChIInChI=1S/C19H19N3O4/c1-25-15-8-6-7-14(13-15)22-19(24)21-11-4-5-12-26-17-10-3-2-9-16(17)18(20)23/h2-3,6-10,13H,11-12H2,1H3,(H2,20,23)(H2,21,22,24)
InChIKeyCJBDKOMWVAHTAY-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.00
Rot. Bonds6

About 2-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]benzamide

2-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]benzamide (PubChem CID 90580585) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]benzamide.

Molecular Properties

Compound Name2-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]benzamide
PubChem CID90580585
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name2-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]benzamide
SMILESCOc1cccc(NC(=O)NCC#CCOc2ccccc2C(N)=O)c1
InChIInChI=1S/C19H19N3O4/c1-25-15-8-6-7-14(13-15)22-19(24)21-11-4-5-12-26-17-10-3-2-9-16(17)18(20)23/h2-3,6-10,13H,11-12H2,1H3,(H2,20,23)(H2,21,22,24)
InChIKeyCJBDKOMWVAHTAY-UHFFFAOYSA-N
XLogP2.00
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[2-(3-methoxyphenoxy)acetyl]amino]but-2-ynoxy]benzamide
CID 90580499
2-[4-[(4-methylphenyl)carbamoylamino]but-2-ynoxy]benzamide
CID 90580583
N-[3-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]phenyl]acetamide
CID 90577447
2-[4-(benzylcarbamoylamino)but-2-ynoxy]benzamide
CID 71803302
1-(3-chlorophenyl)-3-[4-(2-methylphenoxy)but-2-ynyl]urea
CID 90575362
2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]but-2-ynoxy]benzamide
CID 71803254
1-[4-(2-fluorophenoxy)but-2-ynyl]-3-(4-methoxyphenyl)urea
CID 90574611
N-[4-(2-carbamoylphenoxy)but-2-ynyl]naphthalene-2-carboxamide
CID 90580490
1-(3-methoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]urea
CID 2207277
ethyl 2-[4-(2-carbamoylphenoxy)but-2-ynylamino]-2-oxoacetate
CID 90580446
1-[(2-aminocyclohexyl)methyl]-3-(3-methoxyphenyl)urea
CID 64928641
2-ethoxy-N-(3-methoxyphenyl)benzamide
CID 760215

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]benzamide?
The IUPAC name of 2-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]benzamide (CID 90580585) is 2-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]benzamide.
What is the SMILES notation for 2-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]benzamide?
The canonical SMILES for 2-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]benzamide is COc1cccc(NC(=O)NCC#CCOc2ccccc2C(N)=O)c1.
What is the InChIKey of 2-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]benzamide?
The InChIKey is CJBDKOMWVAHTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-25-15-8-6-7-14(13-15)22-19(24)21-11-4-5-12-26-17-10-3-2-9-16(17)18(20)23/h2-3,6-10,13H,11-12H2,1H3,(H2,20,23)(H2,21,22,24).
What are the key properties of 2-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]benzamide?
2-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]benzamide has a molecular weight of 353.38 g/mol, XLogP of 2.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]benzamide is sourced from PubChem (CID 90580585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).