4-[[(2-benzo[e][1]benzofuran-1-ylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide

C28H26N2O3 — CID 34279531

IUPAC4-[[(2-benzo[e][1]benzofuran-1-ylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)Cc2coc3ccc4ccccc4c23)C2CC2)cc1
InChIInChI=1S/C28H26N2O3/c31-26(15-21-17-33-25-14-9-19-3-1-2-4-24(19)27(21)25)30(23-12-13-23)16-18-5-7-20(8-6-18)28(32)29-22-10-11-22/h1-9,14,17,22-23H,10-13,15-16H2,(H,29,32)
InChIKeySGIIHQXAVYWLKD-UHFFFAOYSA-N
MW438.53 g/mol
LogP5.21
Rot. Bonds7

About 4-[[(2-benzo[e][1]benzofuran-1-ylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide

4-[[(2-benzo[e][1]benzofuran-1-ylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide (PubChem CID 34279531) has the molecular formula C28H26N2O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is 4-[[(2-benzo[e][1]benzofuran-1-ylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[[(2-benzo[e][1]benzofuran-1-ylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide
PubChem CID34279531
Molecular FormulaC28H26N2O3
Molecular Weight438.53 g/mol
Exact Mass438.19
IUPAC Name4-[[(2-benzo[e][1]benzofuran-1-ylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)Cc2coc3ccc4ccccc4c23)C2CC2)cc1
InChIInChI=1S/C28H26N2O3/c31-26(15-21-17-33-25-14-9-19-3-1-2-4-24(19)27(21)25)30(23-12-13-23)16-18-5-7-20(8-6-18)28(32)29-22-10-11-22/h1-9,14,17,22-23H,10-13,15-16H2,(H,29,32)
InChIKeySGIIHQXAVYWLKD-UHFFFAOYSA-N
XLogP5.21
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[[cyclopropyl-[2-(2-nitrophenyl)acetyl]amino]methyl]benzamide
CID 33342098
N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)acetyl]amino]methyl]benzamide
CID 34178957
N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
CID 33341018
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 33340647
N-cyclopropyl-4-[[cyclopropyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide
CID 46472604
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-benzo[e][1]benzofuran-1-ylacetate
CID 8525572
2-benzo[e][1]benzofuran-1-yl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 18872572
N-cyclopropyl-4-[[cyclopropyl(3-phenylbutanoyl)amino]methyl]benzamide
CID 134062285
N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]methyl]benzamide
CID 33339728
2-benzo[e][1]benzofuran-1-yl-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 31240268
N-cyclopropyl-4-[[cyclopropyl(3-phenoxypropanoyl)amino]methyl]benzamide
CID 34179021
N-cyclopropyl-4-[[cyclopropyl-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]methyl]benzamide
CID 33342953

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-benzo[e][1]benzofuran-1-ylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[[(2-benzo[e][1]benzofuran-1-ylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide (CID 34279531) is 4-[[(2-benzo[e][1]benzofuran-1-ylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[[(2-benzo[e][1]benzofuran-1-ylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[[(2-benzo[e][1]benzofuran-1-ylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide is O=C(NC1CC1)c1ccc(CN(C(=O)Cc2coc3ccc4ccccc4c23)C2CC2)cc1.
What is the InChIKey of 4-[[(2-benzo[e][1]benzofuran-1-ylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide?
The InChIKey is SGIIHQXAVYWLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O3/c31-26(15-21-17-33-25-14-9-19-3-1-2-4-24(19)27(21)25)30(23-12-13-23)16-18-5-7-20(8-6-18)28(32)29-22-10-11-22/h1-9,14,17,22-23H,10-13,15-16H2,(H,29,32).
What are the key properties of 4-[[(2-benzo[e][1]benzofuran-1-ylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide?
4-[[(2-benzo[e][1]benzofuran-1-ylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide has a molecular weight of 438.53 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-benzo[e][1]benzofuran-1-ylacetyl)-cyclopropylamino]methyl]-N-cyclopropylbenzamide is sourced from PubChem (CID 34279531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).