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

C22H30N2O3 — CID 22511134

IUPAC3-[(2-cyclopentylacetyl)amino]-N,N-dipropyl-1-benzofuran-2-carboxamide
SMILESCCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)CC1CCCC1
InChIInChI=1S/C22H30N2O3/c1-3-13-24(14-4-2)22(26)21-20(17-11-7-8-12-18(17)27-21)23-19(25)15-16-9-5-6-10-16/h7-8,11-12,16H,3-6,9-10,13-15H2,1-2H3,(H,23,25)
InChIKeyWIPMKZWMEUZWIY-UHFFFAOYSA-N
MW370.49 g/mol
LogP5.21
Rot. Bonds8

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

3-[(2-cyclopentylacetyl)amino]-N,N-dipropyl-1-benzofuran-2-carboxamide (PubChem CID 22511134) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 3-[(2-cyclopentylacetyl)amino]-N,N-dipropyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(2-cyclopentylacetyl)amino]-N,N-dipropyl-1-benzofuran-2-carboxamide
PubChem CID22511134
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name3-[(2-cyclopentylacetyl)amino]-N,N-dipropyl-1-benzofuran-2-carboxamide
SMILESCCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)CC1CCCC1
InChIInChI=1S/C22H30N2O3/c1-3-13-24(14-4-2)22(26)21-20(17-11-7-8-12-18(17)27-21)23-19(25)15-16-9-5-6-10-16/h7-8,11-12,16H,3-6,9-10,13-15H2,1-2H3,(H,23,25)
InChIKeyWIPMKZWMEUZWIY-UHFFFAOYSA-N
XLogP5.21
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopentylacetyl)amino]-N,N-dipropyl-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(2-cyclopentylacetyl)amino]-N,N-dipropyl-1-benzofuran-2-carboxamide (CID 22511134) is 3-[(2-cyclopentylacetyl)amino]-N,N-dipropyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(2-cyclopentylacetyl)amino]-N,N-dipropyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(2-cyclopentylacetyl)amino]-N,N-dipropyl-1-benzofuran-2-carboxamide is CCCN(CCC)C(=O)c1oc2ccccc2c1NC(=O)CC1CCCC1.
What is the InChIKey of 3-[(2-cyclopentylacetyl)amino]-N,N-dipropyl-1-benzofuran-2-carboxamide?
The InChIKey is WIPMKZWMEUZWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-3-13-24(14-4-2)22(26)21-20(17-11-7-8-12-18(17)27-21)23-19(25)15-16-9-5-6-10-16/h7-8,11-12,16H,3-6,9-10,13-15H2,1-2H3,(H,23,25).
What are the key properties of 3-[(2-cyclopentylacetyl)amino]-N,N-dipropyl-1-benzofuran-2-carboxamide?
3-[(2-cyclopentylacetyl)amino]-N,N-dipropyl-1-benzofuran-2-carboxamide has a molecular weight of 370.49 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopentylacetyl)amino]-N,N-dipropyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 22511134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).