N-(3-aminobutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride

C16H23ClN2O2 — CID 119499601

IUPACN-(3-aminobutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1ccc(C)c2c(C)c(C(=O)NCCC(C)N)oc12.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-9-5-6-10(2)14-13(9)12(4)15(20-14)16(19)18-8-7-11(3)17;/h5-6,11H,7-8,17H2,1-4H3,(H,18,19);1H
InChIKeyAQXRAQYFSGCJQJ-UHFFFAOYSA-N
MW310.83 g/mol
LogP3.25
Rot. Bonds4

About N-(3-aminobutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride

N-(3-aminobutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119499601) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is N-(3-aminobutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119499601
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC NameN-(3-aminobutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCc1ccc(C)c2c(C)c(C(=O)NCCC(C)N)oc12.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-9-5-6-10(2)14-13(9)12(4)15(20-14)16(19)18-8-7-11(3)17;/h5-6,11H,7-8,17H2,1-4H3,(H,18,19);1H
InChIKeyAQXRAQYFSGCJQJ-UHFFFAOYSA-N
XLogP3.25
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-phenylethyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 119529618
3,4,7-trimethyl-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 119434168
N-[(2R)-2-(ethylamino)propyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 120650740
N-[3-(dimethylamino)-3-oxopropyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 47071817
methyl (2S)-2-hydroxy-3-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]propanoate
CID 97252425
N-(2-amino-2-ethylbutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119643855
3,4,7-trimethyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-1-benzofuran-2-carboxamide
CID 122154945
6-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]hexanoic acid
CID 119219938
3,4,7-trimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 86836541
N-[(1-hydroxycyclopentyl)methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 111331453
N-(3-aminobutyl)-3-bromofuran-2-carboxamide;hydrochloride
CID 119497771
3,4,7-trimethyl-N-(2-pyrrolidin-3-ylethyl)-1-benzofuran-2-carboxamide
CID 119538081

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride (CID 119499601) is N-(3-aminobutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride is Cc1ccc(C)c2c(C)c(C(=O)NCCC(C)N)oc12.Cl.
What is the InChIKey of N-(3-aminobutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is AQXRAQYFSGCJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-9-5-6-10(2)14-13(9)12(4)15(20-14)16(19)18-8-7-11(3)17;/h5-6,11H,7-8,17H2,1-4H3,(H,18,19);1H.
What are the key properties of N-(3-aminobutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride?
N-(3-aminobutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 310.83 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119499601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).