N-[2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide;hydrochloride

C21H25ClN2O2 — CID 52988413

IUPACN-[2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1ccc2c(C)c(C(=O)NCC(c3ccccc3)N(C)C)oc2c1.Cl
InChIInChI=1S/C21H24N2O2.ClH/c1-14-10-11-17-15(2)20(25-19(17)12-14)21(24)22-13-18(23(3)4)16-8-6-5-7-9-16;/h5-12,18H,13H2,1-4H3,(H,22,24);1H
InChIKeyHMQBYJJNPBLFAZ-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.50
Rot. Bonds5

About N-[2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide;hydrochloride

N-[2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 52988413) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID52988413
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1ccc2c(C)c(C(=O)NCC(c3ccccc3)N(C)C)oc2c1.Cl
InChIInChI=1S/C21H24N2O2.ClH/c1-14-10-11-17-15(2)20(25-19(17)12-14)21(24)22-13-18(23(3)4)16-8-6-5-7-9-16;/h5-12,18H,13H2,1-4H3,(H,22,24);1H
InChIKeyHMQBYJJNPBLFAZ-UHFFFAOYSA-N
XLogP4.50
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 35577324
5-chloro-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 35576709
N-[2-(diethylamino)-2-phenylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 18167066
6-bromo-N-[2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 45155048
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide
CID 35575488
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-6,7-dimethyl-4-oxochromene-2-carboxamide
CID 35575343
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
3-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-6-methyl-1-benzothiophene-2-carboxamide
CID 35573678
N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 51153654
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide
CID 35576650
N-ethyl-3,6-dimethyl-N-phenyl-1-benzofuran-2-carboxamide
CID 27104969

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide;hydrochloride (CID 52988413) is N-[2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide;hydrochloride is Cc1ccc2c(C)c(C(=O)NCC(c3ccccc3)N(C)C)oc2c1.Cl.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is HMQBYJJNPBLFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2.ClH/c1-14-10-11-17-15(2)20(25-19(17)12-14)21(24)22-13-18(23(3)4)16-8-6-5-7-9-16;/h5-12,18H,13H2,1-4H3,(H,22,24);1H.
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide;hydrochloride?
N-[2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 372.90 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 52988413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).