N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide

C16H18N2O3 — CID 51164195

IUPACN-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)N(C)Cc1ccco1
InChIInChI=1S/C16H18N2O3/c1-12-6-3-4-8-14(12)16(20)17-10-15(19)18(2)11-13-7-5-9-21-13/h3-9H,10-11H2,1-2H3,(H,17,20)
InChIKeySYFCKLWFCRPZHV-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.98
Rot. Bonds5

About N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide

N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide (PubChem CID 51164195) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide
PubChem CID51164195
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)N(C)Cc1ccco1
InChIInChI=1S/C16H18N2O3/c1-12-6-3-4-8-14(12)16(20)17-10-15(19)18(2)11-13-7-5-9-21-13/h3-9H,10-11H2,1-2H3,(H,17,20)
InChIKeySYFCKLWFCRPZHV-UHFFFAOYSA-N
XLogP1.98
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51160864
N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 27739703
methyl 2-methyl-5-[[methyl-[2-[(2-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate
CID 55462508
N-(furan-2-ylmethyl)-N-methyl-2-(methylamino)acetamide
CID 43396056
2-fluoro-N-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 31151745
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-methylbenzamide
CID 51161257
3,4-diethoxy-N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]benzamide
CID 51164219
N-[3-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]-2-methylbenzamide
CID 18090196
N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-2-methylbenzamide
CID 51162698
N-[2-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
CID 46538728
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 26818992
2-methyl-N-[2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-2-oxoethyl]benzamide
CID 51241984

Frequently Asked Questions

What is the IUPAC name of N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide (CID 51164195) is N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCC(=O)N(C)Cc1ccco1.
What is the InChIKey of N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide?
The InChIKey is SYFCKLWFCRPZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-12-6-3-4-8-14(12)16(20)17-10-15(19)18(2)11-13-7-5-9-21-13/h3-9H,10-11H2,1-2H3,(H,17,20).
What are the key properties of N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide?
N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide has a molecular weight of 286.33 g/mol, XLogP of 1.98, 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]-2-methylbenzamide is sourced from PubChem (CID 51164195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).