3-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide

C25H25N3O5 — CID 55866772

IUPAC3-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(COc1cccc(NC(=O)C2CC2)c1)NCc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C25H25N3O5/c29-23(16-33-21-7-2-6-20(13-21)28-25(31)18-9-10-18)26-14-17-4-1-5-19(12-17)24(30)27-15-22-8-3-11-32-22/h1-8,11-13,18H,9-10,14-16H2,(H,26,29)(H,27,30)(H,28,31)
InChIKeyKTKCYZYHKHIZOR-UHFFFAOYSA-N
MW447.49 g/mol
LogP3.25
Rot. Bonds10

About 3-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide

3-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 55866772) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is 3-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID55866772
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name3-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(COc1cccc(NC(=O)C2CC2)c1)NCc1cccc(C(=O)NCc2ccco2)c1
InChIInChI=1S/C25H25N3O5/c29-23(16-33-21-7-2-6-20(13-21)28-25(31)18-9-10-18)26-14-17-4-1-5-19(12-17)24(30)27-15-22-8-3-11-32-22/h1-8,11-13,18H,9-10,14-16H2,(H,26,29)(H,27,30)(H,28,31)
InChIKeyKTKCYZYHKHIZOR-UHFFFAOYSA-N
XLogP3.25
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(cyclobutanecarbonylamino)methyl]-N-(furan-2-ylmethyl)benzamide
CID 71890389
3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55847820
methyl 4-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]benzoate
CID 46411540
3-[[2-(2-chlorophenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 17199940
3-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzene-1,3-dicarboxamide
CID 46569381
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-N-cyclopropylbenzamide
CID 46603028
3-[[2-(3-ethoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54826254
methyl 3-[2-(furan-2-ylmethylamino)-2-oxoethoxy]benzoate
CID 7671527
N-[3-[2-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylamino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46474980
N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 60703389
3-[[[4-(cyclopropylcarbamoylamino)benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55877912
N-(furan-2-ylmethyl)-3-[[3-(hydroxymethyl)phenoxy]methyl]benzamide
CID 111770257

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide (CID 55866772) is 3-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide is O=C(COc1cccc(NC(=O)C2CC2)c1)NCc1cccc(C(=O)NCc2ccco2)c1.
What is the InChIKey of 3-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is KTKCYZYHKHIZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c29-23(16-33-21-7-2-6-20(13-21)28-25(31)18-9-10-18)26-14-17-4-1-5-19(12-17)24(30)27-15-22-8-3-11-32-22/h1-8,11-13,18H,9-10,14-16H2,(H,26,29)(H,27,30)(H,28,31).
What are the key properties of 3-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide?
3-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 447.49 g/mol, XLogP of 3.25, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 55866772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).