4-(2-amino-2-oxoethoxy)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide

C16H18N2O4 — CID 50981914

IUPAC4-(2-amino-2-oxoethoxy)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide
SMILESCC(c1ccco1)N(C)C(=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C16H18N2O4/c1-11(14-4-3-9-21-14)18(2)16(20)12-5-7-13(8-6-12)22-10-15(17)19/h3-9,11H,10H2,1-2H3,(H2,17,19)
InChIKeyLEOHVESSSGNSEM-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.98
Rot. Bonds6

About 4-(2-amino-2-oxoethoxy)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide

4-(2-amino-2-oxoethoxy)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide (PubChem CID 50981914) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide
PubChem CID50981914
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide
SMILESCC(c1ccco1)N(C)C(=O)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C16H18N2O4/c1-11(14-4-3-9-21-14)18(2)16(20)12-5-7-13(8-6-12)22-10-15(17)19/h3-9,11H,10H2,1-2H3,(H2,17,19)
InChIKeyLEOHVESSSGNSEM-UHFFFAOYSA-N
XLogP1.98
TPSA85.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-[(1S)-1-(furan-2-yl)ethyl]-N-methylbenzamide
CID 97029759
4-(2-amino-2-oxoethoxy)-N-methoxy-N-methylbenzamide
CID 47119792
N-[1-(furan-2-yl)ethyl]-2-(3-methoxyphenoxy)-N-methylacetamide
CID 86982268
3-(carbamoylamino)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide
CID 86927115
3-(2-amino-2-oxoethoxy)-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 134054424
ethyl 1-[4-[1-(furan-2-yl)ethyl-methylcarbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 78866198
N-[(2R)-1-amino-1-oxopropan-2-yl]-4-ethoxy-N-methylbenzamide
CID 86783260
4-(2-amino-2-oxoethoxy)-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 166194594
N-[1-(1-benzofuran-2-yl)ethyl]-4-ethoxy-N-methylbenzamide
CID 46550865
N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide
CID 6009222
N-[1-(furan-2-yl)ethyl]-N,4-dimethylpentanamide
CID 78853140
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55579899

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide (CID 50981914) is 4-(2-amino-2-oxoethoxy)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide is CC(c1ccco1)N(C)C(=O)c1ccc(OCC(N)=O)cc1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide?
The InChIKey is LEOHVESSSGNSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-11(14-4-3-9-21-14)18(2)16(20)12-5-7-13(8-6-12)22-10-15(17)19/h3-9,11H,10H2,1-2H3,(H2,17,19).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide?
4-(2-amino-2-oxoethoxy)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide has a molecular weight of 302.33 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[1-(furan-2-yl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 50981914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).