3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide

C19H23N3O4 — CID 54837191

IUPAC3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(CNc1cccc(C(=O)NCC2CCCO2)c1)NCc1ccco1
InChIInChI=1S/C19H23N3O4/c23-18(21-11-16-6-2-8-25-16)13-20-15-5-1-4-14(10-15)19(24)22-12-17-7-3-9-26-17/h1-2,4-6,8,10,17,20H,3,7,9,11-13H2,(H,21,23)(H,22,24)
InChIKeyCVJHGLGNKXHDEZ-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.92
Rot. Bonds8

About 3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide

3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 54837191) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID54837191
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(CNc1cccc(C(=O)NCC2CCCO2)c1)NCc1ccco1
InChIInChI=1S/C19H23N3O4/c23-18(21-11-16-6-2-8-25-16)13-20-15-5-1-4-14(10-15)19(24)22-12-17-7-3-9-26-17/h1-2,4-6,8,10,17,20H,3,7,9,11-13H2,(H,21,23)(H,22,24)
InChIKeyCVJHGLGNKXHDEZ-UHFFFAOYSA-N
XLogP1.92
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[4-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836925
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzamide
CID 54837066
N-cyclohexyl-3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]benzamide
CID 54831186
3-[[2-oxo-2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842684
N-(oxolan-2-ylmethyl)-3-[[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzamide
CID 54836830
4-N-(furan-2-ylmethyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083258
3-methyl-N-[4-[[2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54837105
N-(furan-2-ylmethyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109228917
3-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837036
N-cyclohexyl-3-[[2-[3-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54831065
3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837138
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54836981

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide (CID 54837191) is 3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide is O=C(CNc1cccc(C(=O)NCC2CCCO2)c1)NCc1ccco1.
What is the InChIKey of 3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is CVJHGLGNKXHDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c23-18(21-11-16-6-2-8-25-16)13-20-15-5-1-4-14(10-15)19(24)22-12-17-7-3-9-26-17/h1-2,4-6,8,10,17,20H,3,7,9,11-13H2,(H,21,23)(H,22,24).
What are the key properties of 3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide?
3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 357.41 g/mol, XLogP of 1.92, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 54837191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).