N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide

C24H30N2O3 — CID 8948223

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
SMILESCCOCc1c(C(=O)NCc2ccc(CN(CC)CC)cc2)oc2ccccc12
InChIInChI=1S/C24H30N2O3/c1-4-26(5-2)16-19-13-11-18(12-14-19)15-25-24(27)23-21(17-28-6-3)20-9-7-8-10-22(20)29-23/h7-14H,4-6,15-17H2,1-3H3,(H,25,27)
InChIKeyGTNSHJDDCBJKSW-UHFFFAOYSA-N
MW394.52 g/mol
LogP4.74
Rot. Bonds10

About N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide

N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 8948223) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID8948223
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
SMILESCCOCc1c(C(=O)NCc2ccc(CN(CC)CC)cc2)oc2ccccc12
InChIInChI=1S/C24H30N2O3/c1-4-26(5-2)16-19-13-11-18(12-14-19)15-25-24(27)23-21(17-28-6-3)20-9-7-8-10-22(20)29-23/h7-14H,4-6,15-17H2,1-3H3,(H,25,27)
InChIKeyGTNSHJDDCBJKSW-UHFFFAOYSA-N
XLogP4.74
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(ethoxymethyl)-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 8533027
N-[(3-chlorophenyl)methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
CID 9079515
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 2603906
(4-methoxycarbonylphenyl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 2660302
[4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 8533387
N-[[4-(diethylaminomethyl)phenyl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8948017
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 7960975
N-(3-cyclohexyloxypropyl)-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
CID 8962542
3-(ethoxymethyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 8941093
N-[(4-chlorophenyl)methyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 2511433
N-(1,3-benzodioxol-5-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 4789921
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate
CID 2662959

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide (CID 8948223) is N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide is CCOCc1c(C(=O)NCc2ccc(CN(CC)CC)cc2)oc2ccccc12.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is GTNSHJDDCBJKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-4-26(5-2)16-19-13-11-18(12-14-19)15-25-24(27)23-21(17-28-6-3)20-9-7-8-10-22(20)29-23/h7-14H,4-6,15-17H2,1-3H3,(H,25,27).
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide?
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 4.74, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8948223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).