N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride

C21H29ClN2O3 — CID 119319220

IUPACN-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
SMILESCOc1ccc2oc(C(C)NC(=O)C3CC4CCCCC4N3)c(C)c2c1.Cl
InChIInChI=1S/C21H28N2O3.ClH/c1-12-16-11-15(25-3)8-9-19(16)26-20(12)13(2)22-21(24)18-10-14-6-4-5-7-17(14)23-18;/h8-9,11,13-14,17-18,23H,4-7,10H2,1-3H3,(H,22,24);1H
InChIKeyULQGFDAHNXGRKG-UHFFFAOYSA-N
MW392.93 g/mol
LogP4.27
Rot. Bonds4

About N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride

N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride (PubChem CID 119319220) has the molecular formula C21H29ClN2O3 and a molecular weight of 392.93 g/mol. Its IUPAC name is N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
PubChem CID119319220
Molecular FormulaC21H29ClN2O3
Molecular Weight392.93 g/mol
Exact Mass392.19
IUPAC NameN-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
SMILESCOc1ccc2oc(C(C)NC(=O)C3CC4CCCCC4N3)c(C)c2c1.Cl
InChIInChI=1S/C21H28N2O3.ClH/c1-12-16-11-15(25-3)8-9-19(16)26-20(12)13(2)22-21(24)18-10-14-6-4-5-7-17(14)23-18;/h8-9,11,13-14,17-18,23H,4-7,10H2,1-3H3,(H,22,24);1H
InChIKeyULQGFDAHNXGRKG-UHFFFAOYSA-N
XLogP4.27
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119280185
N-[1-(5-methylfuran-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43703395
(2S,5R)-5-(aminomethyl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]oxolane-2-carboxamide
CID 120792334
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119776177
N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119342812
4-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122001157
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119335121
N-[(5-fluoro-3-methyl-1-benzofuran-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119306345
(3R,4S)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120931348
1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61282290
N-[1-(2,6-difluorophenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119285511
N-[(2,5-dimethoxyphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119278469

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride (CID 119319220) is N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride is COc1ccc2oc(C(C)NC(=O)C3CC4CCCCC4N3)c(C)c2c1.Cl.
What is the InChIKey of N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
The InChIKey is ULQGFDAHNXGRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3.ClH/c1-12-16-11-15(25-3)8-9-19(16)26-20(12)13(2)22-21(24)18-10-14-6-4-5-7-17(14)23-18;/h8-9,11,13-14,17-18,23H,4-7,10H2,1-3H3,(H,22,24);1H.
What are the key properties of N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride?
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride has a molecular weight of 392.93 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119319220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).