N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-4-propylbenzamide

C22H28N2O2 — CID 90557906

IUPACN-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NCC(c2ccc3c(c2)CCO3)N(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-4-5-16-6-8-17(9-7-16)22(25)23-15-20(24(2)3)18-10-11-21-19(14-18)12-13-26-21/h6-11,14,20H,4-5,12-13,15H2,1-3H3,(H,23,25)
InChIKeyZANNCFQNQKNXEE-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.61
Rot. Bonds7

About N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-4-propylbenzamide

N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-4-propylbenzamide (PubChem CID 90557906) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-4-propylbenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-4-propylbenzamide
PubChem CID90557906
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NCC(c2ccc3c(c2)CCO3)N(C)C)cc1
InChIInChI=1S/C22H28N2O2/c1-4-5-16-6-8-17(9-7-16)22(25)23-15-20(24(2)3)18-10-11-21-19(14-18)12-13-26-21/h6-11,14,20H,4-5,12-13,15H2,1-3H3,(H,23,25)
InChIKeyZANNCFQNQKNXEE-UHFFFAOYSA-N
XLogP3.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-4-propylbenzamide 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

N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,4-difluorobenzamide
CID 90557903
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,4-dimethoxybenzamide
CID 90557940
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]furan-3-carboxamide
CID 71798196
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide
CID 90557936
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]furan-2-carboxamide
CID 121126923
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-ethylsulfanylbenzamide
CID 90557945
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 32635881
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-N-[2-(dimethylamino)ethyl]oxamide
CID 90558183
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]adamantane-1-carboxamide
CID 90557931
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,3-diphenylpropanamide
CID 90557996
N'-cyclopropyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]oxamide
CID 90558113
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3-(3,5-dimethylphenyl)urea
CID 90558202

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-4-propylbenzamide?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-4-propylbenzamide (CID 90557906) is N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-4-propylbenzamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-4-propylbenzamide?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-4-propylbenzamide is CCCc1ccc(C(=O)NCC(c2ccc3c(c2)CCO3)N(C)C)cc1.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-4-propylbenzamide?
The InChIKey is ZANNCFQNQKNXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-4-5-16-6-8-17(9-7-16)22(25)23-15-20(24(2)3)18-10-11-21-19(14-18)12-13-26-21/h6-11,14,20H,4-5,12-13,15H2,1-3H3,(H,23,25).
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-4-propylbenzamide?
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-4-propylbenzamide has a molecular weight of 352.48 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-4-propylbenzamide is sourced from PubChem (CID 90557906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).