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

C20H22N2O2 — CID 120625514

IUPAC5-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2-methylbenzamide
SMILESCCN(C(=O)c1cc(N)ccc1C)C(C)c1cc2ccccc2o1
InChIInChI=1S/C20H22N2O2/c1-4-22(20(23)17-12-16(21)10-9-13(17)2)14(3)19-11-15-7-5-6-8-18(15)24-19/h5-12,14H,4,21H2,1-3H3
InChIKeyCJWPOEGESAVLPA-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.55
Rot. Bonds4

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

5-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2-methylbenzamide (PubChem CID 120625514) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2-methylbenzamide
PubChem CID120625514
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name5-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2-methylbenzamide
SMILESCCN(C(=O)c1cc(N)ccc1C)C(C)c1cc2ccccc2o1
InChIInChI=1S/C20H22N2O2/c1-4-22(20(23)17-12-16(21)10-9-13(17)2)14(3)19-11-15-7-5-6-8-18(15)24-19/h5-12,14H,4,21H2,1-3H3
InChIKeyCJWPOEGESAVLPA-UHFFFAOYSA-N
XLogP4.55
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-methylbutanamide
CID 60574738
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2-(methylamino)acetamide
CID 119748635
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-1-oxo-2H-isoquinoline-3-carboxamide
CID 60575299
2-[1-(1-benzofuran-2-yl)ethyl-ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119182373
2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]-propylamino]-2-oxoethyl]sulfanylacetamide
CID 94486660
4-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-N-ethylpiperidine-1,4-dicarboxamide
CID 94660712
5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 61291739
N-[1-(1-benzofuran-2-yl)ethyl]-5-nitro-N-propylfuran-2-carboxamide
CID 60569015
N-[1-(1-benzofuran-2-yl)ethyl]-1-oxido-N-propylpyridin-1-ium-2-carboxamide
CID 75493606
5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-propan-2-ylbenzamide;hydrochloride
CID 120617672
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 60574663
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-oxo-N-propyl-1H-pyridazine-3-carboxamide
CID 94486607

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2-methylbenzamide?
The IUPAC name of 5-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2-methylbenzamide (CID 120625514) is 5-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2-methylbenzamide is CCN(C(=O)c1cc(N)ccc1C)C(C)c1cc2ccccc2o1.
What is the InChIKey of 5-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2-methylbenzamide?
The InChIKey is CJWPOEGESAVLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-4-22(20(23)17-12-16(21)10-9-13(17)2)14(3)19-11-15-7-5-6-8-18(15)24-19/h5-12,14H,4,21H2,1-3H3.
What are the key properties of 5-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2-methylbenzamide?
5-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2-methylbenzamide has a molecular weight of 322.41 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-2-methylbenzamide is sourced from PubChem (CID 120625514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).