5-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-methylbenzamide

C20H22N2O3 — CID 120631158

IUPAC5-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-methylbenzamide
SMILESCOc1ccc2oc(C(C)NC(=O)c3cc(N)ccc3C)c(C)c2c1
InChIInChI=1S/C20H22N2O3/c1-11-5-6-14(21)9-16(11)20(23)22-13(3)19-12(2)17-10-15(24-4)7-8-18(17)25-19/h5-10,13H,21H2,1-4H3,(H,22,23)
InChIKeyZQROUKBUHVZXNI-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.13
Rot. Bonds4

About 5-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-methylbenzamide

5-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-methylbenzamide (PubChem CID 120631158) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-methylbenzamide
PubChem CID120631158
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name5-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-methylbenzamide
SMILESCOc1ccc2oc(C(C)NC(=O)c3cc(N)ccc3C)c(C)c2c1
InChIInChI=1S/C20H22N2O3/c1-11-5-6-14(21)9-16(11)20(23)22-13(3)19-12(2)17-10-15(24-4)7-8-18(17)25-19/h5-10,13H,21H2,1-4H3,(H,22,23)
InChIKeyZQROUKBUHVZXNI-UHFFFAOYSA-N
XLogP4.13
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119776161
2-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride
CID 119319244
1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-N-methylethanamine
CID 61282290
(2S,5R)-5-(aminomethyl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]oxolane-2-carboxamide
CID 120792334
4-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122001157
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119776152
N-[2-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]ethyl]-N-methylmethanesulfonamide
CID 75477505
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119776177
1-(2,2-dimethyl-1,3-benzodioxol-5-yl)-3-[(1S)-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 99804927
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]acetamide
CID 126803953
N-[(1R)-1-(furan-2-yl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8856762
N-[(1R)-1-(3-chlorophenyl)ethyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8700752

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-methylbenzamide (CID 120631158) is 5-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-methylbenzamide is COc1ccc2oc(C(C)NC(=O)c3cc(N)ccc3C)c(C)c2c1.
What is the InChIKey of 5-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-methylbenzamide?
The InChIKey is ZQROUKBUHVZXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-11-5-6-14(21)9-16(11)20(23)22-13(3)19-12(2)17-10-15(24-4)7-8-18(17)25-19/h5-10,13H,21H2,1-4H3,(H,22,23).
What are the key properties of 5-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-methylbenzamide?
5-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-methylbenzamide has a molecular weight of 338.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 120631158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).