4-(2-amino-2-oxoethoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxybenzamide

C17H19N3O6 — CID 9081389

IUPAC4-(2-amino-2-oxoethoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)NCc2ccco2)ccc1OCC(N)=O
InChIInChI=1S/C17H19N3O6/c1-24-14-7-11(4-5-13(14)26-10-15(18)21)17(23)20-9-16(22)19-8-12-3-2-6-25-12/h2-7H,8-10H2,1H3,(H2,18,21)(H,19,22)(H,20,23)
InChIKeyLXFFZZVYHNGWLJ-UHFFFAOYSA-N
MW361.35 g/mol
LogP0.20
Rot. Bonds9

About 4-(2-amino-2-oxoethoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxybenzamide

4-(2-amino-2-oxoethoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxybenzamide (PubChem CID 9081389) has the molecular formula C17H19N3O6 and a molecular weight of 361.35 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxybenzamide
PubChem CID9081389
Molecular FormulaC17H19N3O6
Molecular Weight361.35 g/mol
Exact Mass361.13
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)NCc2ccco2)ccc1OCC(N)=O
InChIInChI=1S/C17H19N3O6/c1-24-14-7-11(4-5-13(14)26-10-15(18)21)17(23)20-9-16(22)19-8-12-3-2-6-25-12/h2-7H,8-10H2,1H3,(H2,18,21)(H,19,22)(H,20,23)
InChIKeyLXFFZZVYHNGWLJ-UHFFFAOYSA-N
XLogP0.20
TPSA132.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 18208692
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 39641892
3-ethoxy-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 35808851
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24517194
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-3,4-dimethoxybenzamide
CID 110348298
3,5-dichloro-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-methoxybenzamide
CID 9081404
3-ethyl-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 110761912
3-bromo-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 935458
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 35842164
4-amino-N-(furan-2-ylmethyl)-3-[2-(methylamino)-2-oxoethoxy]benzamide
CID 82070085
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,3-dimethoxybenzamide
CID 34239119

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxybenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxybenzamide (CID 9081389) is 4-(2-amino-2-oxoethoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxybenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxybenzamide is COc1cc(C(=O)NCC(=O)NCc2ccco2)ccc1OCC(N)=O.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxybenzamide?
The InChIKey is LXFFZZVYHNGWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O6/c1-24-14-7-11(4-5-13(14)26-10-15(18)21)17(23)20-9-16(22)19-8-12-3-2-6-25-12/h2-7H,8-10H2,1H3,(H2,18,21)(H,19,22)(H,20,23).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxybenzamide?
4-(2-amino-2-oxoethoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 361.35 g/mol, XLogP of 0.20, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-3-methoxybenzamide is sourced from PubChem (CID 9081389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).