(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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Related Compounds

N-[(3aR,6S,6aS)-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]-octahydrocyclopenta[b]pyrrol-6-yl]-1-benzofuran-5-carboxamide
CID 25218671
(2R)-2-(1-benzofuran-5-yl)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-2,5-dioxo-1-piperazinyl]-N-(1-methylethyl)ethanamide
CID 11488952
(3S,6S)-6-benzhydryl-N-(1-benzofuran-5-ylmethyl)oxan-3-amine
CID 101897892
(3S,4R)-N-(1-benzofuran-5-ylmethyl)-4-(4-{3-[(2-methoxyphenyl)methoxy]propoxy}phenyl)piperidin-3-amine
CID 23647861
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 4883248
4-Benzofuran-5-yl-1-dibutylcarbamoylmethyl-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
CID 10391487
(2R,3R,4S)-4-Benzofuran-6-yl-1-dibutylcarbamoylmethyl-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
CID 10649266
5-methyl-N-[1-[[(2S)-5-[4-(oxan-4-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzofuran-2-carboxamide
CID 46238232
(3R,4R,5S)-4-acetamido-5-(dibenzofuran-2-ylmethylamino)-3-pentan-3-yloxycyclohexene-1-carboxylic acid
CID 168270944
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 16437667
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-1-benzofuran-5-carboxamide
CID 9943346
3-[2-(Acetylamino)ethyl]-1-benzofuran-5-carboxamide
CID 10198772

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).