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

C18H27ClN2O2 — CID 119643855

IUPACN-(2-amino-2-ethylbutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1oc2c(C)ccc(C)c2c1C.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-6-18(19,7-2)10-20-17(21)16-13(5)14-11(3)8-9-12(4)15(14)22-16;/h8-9H,6-7,10,19H2,1-5H3,(H,20,21);1H
InChIKeyUVDMQFBLHJVHLE-UHFFFAOYSA-N
MW338.88 g/mol
LogP4.03
Rot. Bonds5

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

N-(2-amino-2-ethylbutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 119643855) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID119643855
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC NameN-(2-amino-2-ethylbutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1oc2c(C)ccc(C)c2c1C.Cl
InChIInChI=1S/C18H26N2O2.ClH/c1-6-18(19,7-2)10-20-17(21)16-13(5)14-11(3)8-9-12(4)15(14)22-16;/h8-9H,6-7,10,19H2,1-5H3,(H,20,21);1H
InChIKeyUVDMQFBLHJVHLE-UHFFFAOYSA-N
XLogP4.03
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119499601
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
methyl (2S)-2-hydroxy-3-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]propanoate
CID 97252425
N-[3-(dimethylamino)-3-oxopropyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 47071817
N-(2-amino-2-phenylethyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 119529618
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-(2-amino-2-ethylbutyl)-3,4-dimethylbenzamide
CID 81484563
N-ethyl-N,3,4,7-tetramethyl-1-benzofuran-2-carboxamide
CID 60578508
3,4,7-trimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 119514675

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride (CID 119643855) is N-(2-amino-2-ethylbutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)c1oc2c(C)ccc(C)c2c1C.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is UVDMQFBLHJVHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2.ClH/c1-6-18(19,7-2)10-20-17(21)16-13(5)14-11(3)8-9-12(4)15(14)22-16;/h8-9H,6-7,10,19H2,1-5H3,(H,20,21);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 338.88 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119643855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).