N-(1-aminopropan-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide

C16H22N2O2 — CID 119583813

IUPACN-(1-aminopropan-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
SMILESCc1ccc2c(CC(=O)N(C)C(C)CN)coc2c1C
InChIInChI=1S/C16H22N2O2/c1-10-5-6-14-13(9-20-16(14)12(10)3)7-15(19)18(4)11(2)8-17/h5-6,9,11H,7-8,17H2,1-4H3
InChIKeyDEMWGEKVIREVOS-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.40
Rot. Bonds4

About N-(1-aminopropan-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide

N-(1-aminopropan-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide (PubChem CID 119583813) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
PubChem CID119583813
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(1-aminopropan-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
SMILESCc1ccc2c(CC(=O)N(C)C(C)CN)coc2c1C
InChIInChI=1S/C16H22N2O2/c1-10-5-6-14-13(9-20-16(14)12(10)3)7-15(19)18(4)11(2)8-17/h5-6,9,11H,7-8,17H2,1-4H3
InChIKeyDEMWGEKVIREVOS-UHFFFAOYSA-N
XLogP2.40
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-aminopropan-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide 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

2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 109388466
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methylacetamide
CID 111543243
N-(3-aminobutyl)-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 119497942
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 1285216
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 27226969
N-(1-aminopropan-2-yl)-2-(2,5-dimethylphenyl)-N-methylacetamide;hydrochloride
CID 119584413
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 27511094
methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate
CID 40918319
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 9440899
N-[(2,4-dimethoxyphenyl)methyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide
CID 27774295
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(6,7-dimethyl-1-benzofuran-3-yl)ethanone;hydrochloride
CID 119519445
N-tert-butyl-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 8779926

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide (CID 119583813) is N-(1-aminopropan-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide is Cc1ccc2c(CC(=O)N(C)C(C)CN)coc2c1C.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide?
The InChIKey is DEMWGEKVIREVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10-5-6-14-13(9-20-16(14)12(10)3)7-15(19)18(4)11(2)8-17/h5-6,9,11H,7-8,17H2,1-4H3.
What are the key properties of N-(1-aminopropan-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide?
N-(1-aminopropan-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide has a molecular weight of 274.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-(6,7-dimethyl-1-benzofuran-3-yl)-N-methylacetamide is sourced from PubChem (CID 119583813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).