3-[[2-(3-methylphenyl)acetyl]amino]-N,N-dipropyl-1-benzofuran-2-carboxamide

C24H28N2O3 — CID 20926316

IUPAC3-[[2-(3-methylphenyl)acetyl]amino]-N,N-dipropyl-1-benzofuran-2-carboxamide
SMILESCCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)Cc1cccc(C)c1
InChIInChI=1S/C24H28N2O3/c1-4-13-26(14-5-2)24(28)23-22(19-11-6-7-12-20(19)29-23)25-21(27)16-18-10-8-9-17(3)15-18/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,25,27)
InChIKeyADCHBXSNCYTQEY-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.18
Rot. Bonds8

About 3-[[2-(3-methylphenyl)acetyl]amino]-N,N-dipropyl-1-benzofuran-2-carboxamide

3-[[2-(3-methylphenyl)acetyl]amino]-N,N-dipropyl-1-benzofuran-2-carboxamide (PubChem CID 20926316) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-[[2-(3-methylphenyl)acetyl]amino]-N,N-dipropyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[[2-(3-methylphenyl)acetyl]amino]-N,N-dipropyl-1-benzofuran-2-carboxamide
PubChem CID20926316
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name3-[[2-(3-methylphenyl)acetyl]amino]-N,N-dipropyl-1-benzofuran-2-carboxamide
SMILESCCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)Cc1cccc(C)c1
InChIInChI=1S/C24H28N2O3/c1-4-13-26(14-5-2)24(28)23-22(19-11-6-7-12-20(19)29-23)25-21(27)16-18-10-8-9-17(3)15-18/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,25,27)
InChIKeyADCHBXSNCYTQEY-UHFFFAOYSA-N
XLogP5.18
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875320
3-[(2-cyclopentylacetyl)amino]-N,N-dipropyl-1-benzofuran-2-carboxamide
CID 22511134
ethyl 3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxylate
CID 7117067
2-N-[(3-methylphenyl)methyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109097438
3-(pentanoylamino)-1-benzofuran-2-carboxamide
CID 7385691
3-[(3,5-dimethoxybenzoyl)amino]-N,N-diethyl-1-benzofuran-2-carboxamide
CID 22511094
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
N,N-diethyl-3-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]-1-benzofuran-2-carboxamide
CID 46281672
3-[[2-(3,4-diethoxyphenyl)acetyl]amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 1267238
3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-1-benzofuran-2-carboxamide
CID 26730475
N-[3-(benzylamino)-3-oxopropyl]-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 42779701
2-(4-methylphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 22511152

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methylphenyl)acetyl]amino]-N,N-dipropyl-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[[2-(3-methylphenyl)acetyl]amino]-N,N-dipropyl-1-benzofuran-2-carboxamide (CID 20926316) is 3-[[2-(3-methylphenyl)acetyl]amino]-N,N-dipropyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[[2-(3-methylphenyl)acetyl]amino]-N,N-dipropyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[[2-(3-methylphenyl)acetyl]amino]-N,N-dipropyl-1-benzofuran-2-carboxamide is CCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)Cc1cccc(C)c1.
What is the InChIKey of 3-[[2-(3-methylphenyl)acetyl]amino]-N,N-dipropyl-1-benzofuran-2-carboxamide?
The InChIKey is ADCHBXSNCYTQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-4-13-26(14-5-2)24(28)23-22(19-11-6-7-12-20(19)29-23)25-21(27)16-18-10-8-9-17(3)15-18/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,25,27).
What are the key properties of 3-[[2-(3-methylphenyl)acetyl]amino]-N,N-dipropyl-1-benzofuran-2-carboxamide?
3-[[2-(3-methylphenyl)acetyl]amino]-N,N-dipropyl-1-benzofuran-2-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methylphenyl)acetyl]amino]-N,N-dipropyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 20926316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).