3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide

C19H22N2O4 — CID 86840469

IUPAC3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)N(Cc2ccco2)CC2CCCO2)c1
InChIInChI=1S/C19H22N2O4/c1-14(22)20-16-6-2-5-15(11-16)19(23)21(12-17-7-3-9-24-17)13-18-8-4-10-25-18/h2-3,5-7,9,11,18H,4,8,10,12-13H2,1H3,(H,20,22)
InChIKeyIQGSFKNLONRDIF-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.06
Rot. Bonds6

About 3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide

3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 86840469) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
PubChem CID86840469
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)N(Cc2ccco2)CC2CCCO2)c1
InChIInChI=1S/C19H22N2O4/c1-14(22)20-16-6-2-5-15(11-16)19(23)21(12-17-7-3-9-24-17)13-18-8-4-10-25-18/h2-3,5-7,9,11,18H,4,8,10,12-13H2,1H3,(H,20,22)
InChIKeyIQGSFKNLONRDIF-UHFFFAOYSA-N
XLogP3.06
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-acetylphenyl)-1-(furan-2-ylmethyl)-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 94652128
3-acetamido-N-[[4-(dimethylamino)phenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 9120104
N-(3-acetylphenyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 60585132
3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 55900018
N-(furan-2-ylmethyl)-3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide
CID 42664603
3-chloro-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 7351365
N-cyclopropyl-3-[[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetyl]amino]benzamide
CID 47537148
3-bromo-N-cyclopropyl-N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 5010207
1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 60577582
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 772640
3-(3,4-dichlorophenyl)-1-(furan-2-ylmethyl)-1-(oxolan-2-ylmethyl)thiourea
CID 47510893
(2S)-N-[3-[furan-2-ylmethyl(methyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 94020588

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide (CID 86840469) is 3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide is CC(=O)Nc1cccc(C(=O)N(Cc2ccco2)CC2CCCO2)c1.
What is the InChIKey of 3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is IQGSFKNLONRDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14(22)20-16-6-2-5-15(11-16)19(23)21(12-17-7-3-9-24-17)13-18-8-4-10-25-18/h2-3,5-7,9,11,18H,4,8,10,12-13H2,1H3,(H,20,22).
What are the key properties of 3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide?
3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 342.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 86840469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).