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

C21H26N2O4 — CID 90557936

IUPACN-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(c2ccc3c(c2)CCO3)N(C)C)c1
InChIInChI=1S/C21H26N2O4/c1-23(2)19(14-5-6-20-15(9-14)7-8-27-20)13-22-21(24)16-10-17(25-3)12-18(11-16)26-4/h5-6,9-12,19H,7-8,13H2,1-4H3,(H,22,24)
InChIKeyICPDSTPOWXMYFA-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.67
Rot. Bonds7

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

N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide (PubChem CID 90557936) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide
PubChem CID90557936
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCC(c2ccc3c(c2)CCO3)N(C)C)c1
InChIInChI=1S/C21H26N2O4/c1-23(2)19(14-5-6-20-15(9-14)7-8-27-20)13-22-21(24)16-10-17(25-3)12-18(11-16)26-4/h5-6,9-12,19H,7-8,13H2,1-4H3,(H,22,24)
InChIKeyICPDSTPOWXMYFA-UHFFFAOYSA-N
XLogP2.67
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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]-3,4-difluorobenzamide
CID 90557903
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-4-propylbenzamide
CID 90557906
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]-N'-(2,4-dimethoxyphenyl)oxamide
CID 90558176
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,5-dimethoxybenzamide
CID 110792373
N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 97104848
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 90557965
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-ethylsulfanylbenzamide
CID 90557945
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]-4-methoxybenzenesulfonamide
CID 90558041

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide (CID 90557936) is N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCC(c2ccc3c(c2)CCO3)N(C)C)c1.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is ICPDSTPOWXMYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-23(2)19(14-5-6-20-15(9-14)7-8-27-20)13-22-21(24)16-10-17(25-3)12-18(11-16)26-4/h5-6,9-12,19H,7-8,13H2,1-4H3,(H,22,24).
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide?
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 370.45 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 90557936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).