(4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)pentanamide

C22H26N2O3 — CID 139362871

IUPAC(4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)pentanamide
SMILESCN(C)[C@H](CCC(=O)NC1CC(=O)c2ccccc21)Cc1ccc(O)cc1
InChIInChI=1S/C22H26N2O3/c1-24(2)16(13-15-7-10-17(25)11-8-15)9-12-22(27)23-20-14-21(26)19-6-4-3-5-18(19)20/h3-8,10-11,16,20,25H,9,12-14H2,1-2H3,(H,23,27)/t16-,20?/m1/s1
InChIKeyCZFGPQHMVMITKP-QRIPLOBPSA-N
MW366.46 g/mol
LogP3.09
Rot. Bonds7

About (4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)pentanamide

(4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)pentanamide (PubChem CID 139362871) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)pentanamide.

Molecular Properties

Compound Name(4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)pentanamide
PubChem CID139362871
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)pentanamide
SMILESCN(C)[C@H](CCC(=O)NC1CC(=O)c2ccccc21)Cc1ccc(O)cc1
InChIInChI=1S/C22H26N2O3/c1-24(2)16(13-15-7-10-17(25)11-8-15)9-12-22(27)23-20-14-21(26)19-6-4-3-5-18(19)20/h3-8,10-11,16,20,25H,9,12-14H2,1-2H3,(H,23,27)/t16-,20?/m1/s1
InChIKeyCZFGPQHMVMITKP-QRIPLOBPSA-N
XLogP3.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)pentanamide?
The IUPAC name of (4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)pentanamide (CID 139362871) is (4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)pentanamide.
What is the SMILES notation for (4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)pentanamide?
The canonical SMILES for (4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)pentanamide is CN(C)[C@H](CCC(=O)NC1CC(=O)c2ccccc21)Cc1ccc(O)cc1.
What is the InChIKey of (4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)pentanamide?
The InChIKey is CZFGPQHMVMITKP-QRIPLOBPSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-24(2)16(13-15-7-10-17(25)11-8-15)9-12-22(27)23-20-14-21(26)19-6-4-3-5-18(19)20/h3-8,10-11,16,20,25H,9,12-14H2,1-2H3,(H,23,27)/t16-,20?/m1/s1.
What are the key properties of (4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)pentanamide?
(4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)pentanamide has a molecular weight of 366.46 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(dimethylamino)-5-(4-hydroxyphenyl)-N-(3-oxo-1,2-dihydroinden-1-yl)pentanamide is sourced from PubChem (CID 139362871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).