N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethoxybenzamide

C19H26N2O4 — CID 94813161

IUPACN-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethoxybenzamide
SMILESCCN(CC)[C@@H](CNC(=O)c1cccc(OC)c1OC)c1ccco1
InChIInChI=1S/C19H26N2O4/c1-5-21(6-2)15(16-11-8-12-25-16)13-20-19(22)14-9-7-10-17(23-3)18(14)24-4/h7-12,15H,5-6,13H2,1-4H3,(H,20,22)/t15-/m0/s1
InChIKeyPSJRATXIHLNQIN-HNNXBMFYSA-N
MW346.43 g/mol
LogP3.11
Rot. Bonds9

About N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethoxybenzamide

N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethoxybenzamide (PubChem CID 94813161) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethoxybenzamide
PubChem CID94813161
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC NameN-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethoxybenzamide
SMILESCCN(CC)[C@@H](CNC(=O)c1cccc(OC)c1OC)c1ccco1
InChIInChI=1S/C19H26N2O4/c1-5-21(6-2)15(16-11-8-12-25-16)13-20-19(22)14-9-7-10-17(23-3)18(14)24-4/h7-12,15H,5-6,13H2,1-4H3,(H,20,22)/t15-/m0/s1
InChIKeyPSJRATXIHLNQIN-HNNXBMFYSA-N
XLogP3.11
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)-2-methoxyethyl]-2,3-dimethoxybenzamide
CID 121145514
N-[(2R)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(methoxymethyl)benzamide
CID 94813164
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-sulfamoylbenzamide
CID 75431996
N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide
CID 55025842
N-[2-(benzenesulfonyl)-2-(furan-2-yl)ethyl]-2-methoxybenzamide
CID 110315127
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dimethoxybenzamide
CID 45001541
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,3-dimethoxybenzamide
CID 34239119
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 86853165
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethylbenzamide
CID 51162753
N-(2-amino-4-methylpentyl)-2,3-dimethoxybenzamide
CID 107158720
N-[(2S)-1-[[(2R)-2-(diethylamino)-2-(furan-2-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 52519417
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(methylsulfamoyl)benzamide
CID 47082106

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethoxybenzamide (CID 94813161) is N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethoxybenzamide is CCN(CC)[C@@H](CNC(=O)c1cccc(OC)c1OC)c1ccco1.
What is the InChIKey of N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethoxybenzamide?
The InChIKey is PSJRATXIHLNQIN-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-5-21(6-2)15(16-11-8-12-25-16)13-20-19(22)14-9-7-10-17(23-3)18(14)24-4/h7-12,15H,5-6,13H2,1-4H3,(H,20,22)/t15-/m0/s1.
What are the key properties of N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethoxybenzamide?
N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethoxybenzamide has a molecular weight of 346.43 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 94813161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).