(2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)-N-propylpropanamide

C27H32N2O3 — CID 58276832

IUPAC(2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)-N-propylpropanamide
SMILESCCCN(CC(C)C)C(=O)[C@@H](Cc1ccc2occc2c1)NCc1ccc2occc2c1
InChIInChI=1S/C27H32N2O3/c1-4-11-29(18-19(2)3)27(30)24(16-20-5-7-25-22(14-20)9-12-31-25)28-17-21-6-8-26-23(15-21)10-13-32-26/h5-10,12-15,19,24,28H,4,11,16-18H2,1-3H3/t24-/m1/s1
InChIKeyNLSWPYGVPQLVFF-XMMPIXPASA-N
MW432.56 g/mol
LogP5.77
Rot. Bonds10

About (2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)-N-propylpropanamide

(2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)-N-propylpropanamide (PubChem CID 58276832) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is (2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)-N-propylpropanamide
PubChem CID58276832
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name(2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)-N-propylpropanamide
SMILESCCCN(CC(C)C)C(=O)[C@@H](Cc1ccc2occc2c1)NCc1ccc2occc2c1
InChIInChI=1S/C27H32N2O3/c1-4-11-29(18-19(2)3)27(30)24(16-20-5-7-25-22(14-20)9-12-31-25)28-17-21-6-8-26-23(15-21)10-13-32-26/h5-10,12-15,19,24,28H,4,11,16-18H2,1-3H3/t24-/m1/s1
InChIKeyNLSWPYGVPQLVFF-XMMPIXPASA-N
XLogP5.77
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)-N-propylpropanamide?
The IUPAC name of (2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)-N-propylpropanamide (CID 58276832) is (2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)-N-propylpropanamide.
What is the SMILES notation for (2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)-N-propylpropanamide?
The canonical SMILES for (2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)-N-propylpropanamide is CCCN(CC(C)C)C(=O)[C@@H](Cc1ccc2occc2c1)NCc1ccc2occc2c1.
What is the InChIKey of (2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)-N-propylpropanamide?
The InChIKey is NLSWPYGVPQLVFF-XMMPIXPASA-N. The full InChI is InChI=1S/C27H32N2O3/c1-4-11-29(18-19(2)3)27(30)24(16-20-5-7-25-22(14-20)9-12-31-25)28-17-21-6-8-26-23(15-21)10-13-32-26/h5-10,12-15,19,24,28H,4,11,16-18H2,1-3H3/t24-/m1/s1.
What are the key properties of (2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)-N-propylpropanamide?
(2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)-N-propylpropanamide has a molecular weight of 432.56 g/mol, XLogP of 5.77, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1-benzofuran-5-yl)-2-(1-benzofuran-5-ylmethylamino)-N-(2-methylpropyl)-N-propylpropanamide is sourced from PubChem (CID 58276832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).