N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,3-dimethoxybenzamide

C16H18N2O5 — CID 34239119

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCC(=O)NCc2ccco2)c1OC
InChIInChI=1S/C16H18N2O5/c1-21-13-7-3-6-12(15(13)22-2)16(20)18-10-14(19)17-9-11-5-4-8-23-11/h3-8H,9-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyQCHOZLYEAHYPMM-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.34
Rot. Bonds7

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,3-dimethoxybenzamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,3-dimethoxybenzamide (PubChem CID 34239119) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,3-dimethoxybenzamide
PubChem CID34239119
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NCC(=O)NCc2ccco2)c1OC
InChIInChI=1S/C16H18N2O5/c1-21-13-7-3-6-12(15(13)22-2)16(20)18-10-14(19)17-9-11-5-4-8-23-11/h3-8H,9-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyQCHOZLYEAHYPMM-UHFFFAOYSA-N
XLogP1.34
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 18118972
3,5-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 9081404
N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288
N-[2-(furan-2-yl)-2-methoxyethyl]-2,3-dimethoxybenzamide
CID 121145514
5-ethoxy-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxy-2-nitrobenzamide
CID 31638717
N-(furan-2-ylmethyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide
CID 110767919
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24517194
4-(2-amino-2-oxoethoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxybenzamide
CID 9081389
2-anilino-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 29238758
2,3-dimethoxy-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713943
N-(furan-2-ylmethyl)-2-(2-methoxyethylamino)acetamide
CID 3229603
2,3,4-trifluoro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 112992005

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,3-dimethoxybenzamide (CID 34239119) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NCC(=O)NCc2ccco2)c1OC.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,3-dimethoxybenzamide?
The InChIKey is QCHOZLYEAHYPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-21-13-7-3-6-12(15(13)22-2)16(20)18-10-14(19)17-9-11-5-4-8-23-11/h3-8H,9-10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,3-dimethoxybenzamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,3-dimethoxybenzamide has a molecular weight of 318.33 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 34239119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).