3,5-diacetamido-N-[1-(furan-2-yl)ethyl]benzamide

C17H19N3O4 — CID 18110352

IUPAC3,5-diacetamido-N-[1-(furan-2-yl)ethyl]benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC(C)c2ccco2)c1
InChIInChI=1S/C17H19N3O4/c1-10(16-5-4-6-24-16)18-17(23)13-7-14(19-11(2)21)9-15(8-13)20-12(3)22/h4-10H,1-3H3,(H,18,23)(H,19,21)(H,20,22)
InChIKeyAAOHVGOVRMPHBH-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.69
Rot. Bonds5

About 3,5-diacetamido-N-[1-(furan-2-yl)ethyl]benzamide

3,5-diacetamido-N-[1-(furan-2-yl)ethyl]benzamide (PubChem CID 18110352) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3,5-diacetamido-N-[1-(furan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-diacetamido-N-[1-(furan-2-yl)ethyl]benzamide
PubChem CID18110352
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name3,5-diacetamido-N-[1-(furan-2-yl)ethyl]benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC(C)c2ccco2)c1
InChIInChI=1S/C17H19N3O4/c1-10(16-5-4-6-24-16)18-17(23)13-7-14(19-11(2)21)9-15(8-13)20-12(3)22/h4-10H,1-3H3,(H,18,23)(H,19,21)(H,20,22)
InChIKeyAAOHVGOVRMPHBH-UHFFFAOYSA-N
XLogP2.69
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(furan-2-yl)ethyl]acetamide
CID 22460009
3,4-dichloro-N-[(1S)-1-(furan-2-yl)ethyl]benzamide
CID 7995956
4-amino-3,5-dichloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 82795088
3-[[(1R)-1-(furan-2-yl)ethyl]carbamoyl]benzoic acid
CID 51704043
4-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzamide
CID 62169194
2-(4-acetamidophenyl)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 9482244
N-[1-(furan-2-yl)ethyl]-3-hydroxy-4-methylbenzamide
CID 43402437
N-[1-(furan-2-yl)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 62168505
4-bromo-N-[1-(furan-2-yl)ethyl]-3-hydroxybenzamide
CID 103871268
4-cyano-N-[(1R)-1-(furan-2-yl)ethyl]benzamide
CID 9481732
4-bromo-3-chloro-N-[1-(furan-2-yl)ethyl]benzamide
CID 80965940
4-[(3,5-difluorobenzoyl)amino]-N-[1-(furan-2-yl)ethyl]-2-hydroxybenzamide
CID 86832004

Frequently Asked Questions

What is the IUPAC name of 3,5-diacetamido-N-[1-(furan-2-yl)ethyl]benzamide?
The IUPAC name of 3,5-diacetamido-N-[1-(furan-2-yl)ethyl]benzamide (CID 18110352) is 3,5-diacetamido-N-[1-(furan-2-yl)ethyl]benzamide.
What is the SMILES notation for 3,5-diacetamido-N-[1-(furan-2-yl)ethyl]benzamide?
The canonical SMILES for 3,5-diacetamido-N-[1-(furan-2-yl)ethyl]benzamide is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NC(C)c2ccco2)c1.
What is the InChIKey of 3,5-diacetamido-N-[1-(furan-2-yl)ethyl]benzamide?
The InChIKey is AAOHVGOVRMPHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-10(16-5-4-6-24-16)18-17(23)13-7-14(19-11(2)21)9-15(8-13)20-12(3)22/h4-10H,1-3H3,(H,18,23)(H,19,21)(H,20,22).
What are the key properties of 3,5-diacetamido-N-[1-(furan-2-yl)ethyl]benzamide?
3,5-diacetamido-N-[1-(furan-2-yl)ethyl]benzamide has a molecular weight of 329.36 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetamido-N-[1-(furan-2-yl)ethyl]benzamide is sourced from PubChem (CID 18110352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).