N-[(2R)-2-(ethylamino)propyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride

C17H25ClN2O2 — CID 120650740

IUPACN-[(2R)-2-(ethylamino)propyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1oc2c(C)ccc(C)c2c1C.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-6-18-12(4)9-19-17(20)16-13(5)14-10(2)7-8-11(3)15(14)21-16;/h7-8,12,18H,6,9H2,1-5H3,(H,19,20);1H/t12-;/m1./s1
InChIKeyQCPNRSNXRURJNK-UTONKHPSSA-N
MW324.85 g/mol
LogP3.51
Rot. Bonds5

About N-[(2R)-2-(ethylamino)propyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride (PubChem CID 120650740) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
PubChem CID120650740
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1oc2c(C)ccc(C)c2c1C.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-6-18-12(4)9-19-17(20)16-13(5)14-10(2)7-8-11(3)15(14)21-16;/h7-8,12,18H,6,9H2,1-5H3,(H,19,20);1H/t12-;/m1./s1
InChIKeyQCPNRSNXRURJNK-UTONKHPSSA-N
XLogP3.51
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 53.51
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
methyl (2S)-2-hydroxy-3-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]propanoate
CID 97252425
3,4,7-trimethyl-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 119434168
N-(2-amino-2-ethylbutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119643855
N-(2-amino-2-phenylethyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 119529618
N-[3-(dimethylamino)-3-oxopropyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 47071817
6-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]hexanoic acid
CID 119219938
3,4,7-trimethyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-1-benzofuran-2-carboxamide
CID 122154945
3,4,7-trimethyl-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 119514675
N-[(1-hydroxycyclopentyl)methyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 111331453
5-chloro-N-[(2R)-2-(ethylamino)propyl]-3-methyl-1-benzofuran-2-carboxamide
CID 120652977
N-[(2R)-2-(ethylamino)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120651676

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride (CID 120650740) is N-[(2R)-2-(ethylamino)propyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride is CCN[C@H](C)CNC(=O)c1oc2c(C)ccc(C)c2c1C.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride?
The InChIKey is QCPNRSNXRURJNK-UTONKHPSSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c1-6-18-12(4)9-19-17(20)16-13(5)14-10(2)7-8-11(3)15(14)21-16;/h7-8,12,18H,6,9H2,1-5H3,(H,19,20);1H/t12-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 120650740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).