N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide

C19H25N3O5 — CID 4881633

IUPACN-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)NCC(c2ccco2)N(C)C)cc1OC
InChIInChI=1S/C19H25N3O5/c1-22(2)14(15-6-5-9-27-15)11-20-18(23)12-21-19(24)13-7-8-16(25-3)17(10-13)26-4/h5-10,14H,11-12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyZUUGBZWSRZMMFL-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.45
Rot. Bonds9

About N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide

N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 4881633) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID4881633
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC NameN-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)NCC(c2ccco2)N(C)C)cc1OC
InChIInChI=1S/C19H25N3O5/c1-22(2)14(15-6-5-9-27-15)11-20-18(23)12-21-19(24)13-7-8-16(25-3)17(10-13)26-4/h5-10,14H,11-12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyZUUGBZWSRZMMFL-UHFFFAOYSA-N
XLogP1.45
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide (CID 4881633) is N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(=O)NCC(c2ccco2)N(C)C)cc1OC.
What is the InChIKey of N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is ZUUGBZWSRZMMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-22(2)14(15-6-5-9-27-15)11-20-18(23)12-21-19(24)13-7-8-16(25-3)17(10-13)26-4/h5-10,14H,11-12H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide?
N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 375.43 g/mol, XLogP of 1.45, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 4881633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).