N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide

C17H20N2O3 — CID 27739703

IUPACN-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)N(C)Cc2ccco2)c1
InChIInChI=1S/C17H20N2O3/c1-12-7-13(2)9-14(8-12)17(21)18-10-16(20)19(3)11-15-5-4-6-22-15/h4-9H,10-11H2,1-3H3,(H,18,21)
InChIKeyKGBVNQGOZWAWAT-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.28
Rot. Bonds5

About N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide

N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide (PubChem CID 27739703) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
PubChem CID27739703
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)N(C)Cc2ccco2)c1
InChIInChI=1S/C17H20N2O3/c1-12-7-13(2)9-14(8-12)17(21)18-10-16(20)19(3)11-15-5-4-6-22-15/h4-9H,10-11H2,1-3H3,(H,18,21)
InChIKeyKGBVNQGOZWAWAT-UHFFFAOYSA-N
XLogP2.28
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-diethoxy-N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]benzamide
CID 51164219
N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51164195
N-(furan-2-ylmethyl)-N-methyl-2-(methylamino)acetamide
CID 43396056
N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 31138692
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3,5-dimethylbenzamide
CID 90604979
methyl 2-methyl-5-[[methyl-[2-[(3-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate
CID 31712108
3-amino-N-(furan-2-ylmethyl)-5-iodo-N-methylbenzamide
CID 112750794
N-(furan-2-ylmethyl)-N,3-dimethylbutanamide
CID 58845598
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 30552687
5-bromo-N-(furan-2-ylmethyl)-N-methylpentanamide
CID 107908125
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307
N-(furan-2-ylmethyl)-N-methyl-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]acetamide
CID 95306746

Frequently Asked Questions

What is the IUPAC name of N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide (CID 27739703) is N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCC(=O)N(C)Cc2ccco2)c1.
What is the InChIKey of N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide?
The InChIKey is KGBVNQGOZWAWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-7-13(2)9-14(8-12)17(21)18-10-16(20)19(3)11-15-5-4-6-22-15/h4-9H,10-11H2,1-3H3,(H,18,21).
What are the key properties of N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide?
N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide has a molecular weight of 300.36 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 27739703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).