N-[2-(ethylaminomethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride

C21H25ClN2O2 — CID 119440832

IUPACN-[2-(ethylaminomethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1oc2c(C)ccc(C)c2c1C.Cl
InChIInChI=1S/C21H24N2O2.ClH/c1-5-22-12-16-8-6-7-9-17(16)23-21(24)20-15(4)18-13(2)10-11-14(3)19(18)25-20;/h6-11,22H,5,12H2,1-4H3,(H,23,24);1H
InChIKeyOZBRWDZLHVNJNW-UHFFFAOYSA-N
MW372.90 g/mol
LogP5.14
Rot. Bonds5

About N-[2-(ethylaminomethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride

N-[2-(ethylaminomethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119440832) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119440832
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)c1oc2c(C)ccc(C)c2c1C.Cl
InChIInChI=1S/C21H24N2O2.ClH/c1-5-22-12-16-8-6-7-9-17(16)23-21(24)20-15(4)18-13(2)10-11-14(3)19(18)25-20;/h6-11,22H,5,12H2,1-4H3,(H,23,24);1H
InChIKeyOZBRWDZLHVNJNW-UHFFFAOYSA-N
XLogP5.14
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.90
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethoxymethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 86836535
N-[2-(ethylaminomethyl)phenyl]-3,4-dimethylbenzamide;hydrochloride
CID 119440699
5-bromo-N-[2-(ethylaminomethyl)phenyl]-2-methylbenzamide
CID 65311478
N-[(2R)-2-(ethylamino)propyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 120650740
3-bromo-N-[2-(ethylaminomethyl)phenyl]-4-methylbenzamide
CID 81459743
4-acetyl-N-[2-(ethylaminomethyl)phenyl]benzamide;hydrochloride
CID 86779920
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethylbenzamide
CID 43601336
N-(3-aminobutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119499601
3,4,7-trimethyl-N-(3-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 60578796
N-[2-(ethylaminomethyl)phenyl]-3-methylpyridine-2-carboxamide
CID 62339323
2-(2,5-dimethylphenyl)-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 119440427
3,4,7-trimethyl-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 119434168

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride (CID 119440832) is N-[2-(ethylaminomethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride is CCNCc1ccccc1NC(=O)c1oc2c(C)ccc(C)c2c1C.Cl.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is OZBRWDZLHVNJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2.ClH/c1-5-22-12-16-8-6-7-9-17(16)23-21(24)20-15(4)18-13(2)10-11-14(3)19(18)25-20;/h6-11,22H,5,12H2,1-4H3,(H,23,24);1H.
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride?
N-[2-(ethylaminomethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 372.90 g/mol, XLogP of 5.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119440832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).