(4R)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide

C22H28N2O2 — CID 153328550

IUPAC(4R)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide
SMILESCN(C)[C@H](CCC(=O)N[C@@H]1CCc2ccccc21)Cc1ccc(O)cc1
InChIInChI=1S/C22H28N2O2/c1-24(2)18(15-16-7-11-19(25)12-8-16)10-14-22(26)23-21-13-9-17-5-3-4-6-20(17)21/h3-8,11-12,18,21,25H,9-10,13-15H2,1-2H3,(H,23,26)/t18-,21-/m1/s1
InChIKeyDCKFTZPUTYMNAH-WIYYLYMNSA-N
MW352.48 g/mol
LogP3.45
Rot. Bonds7

About (4R)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide

(4R)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide (PubChem CID 153328550) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (4R)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide.

Molecular Properties

Compound Name(4R)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide
PubChem CID153328550
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(4R)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide
SMILESCN(C)[C@H](CCC(=O)N[C@@H]1CCc2ccccc21)Cc1ccc(O)cc1
InChIInChI=1S/C22H28N2O2/c1-24(2)18(15-16-7-11-19(25)12-8-16)10-14-22(26)23-21-13-9-17-5-3-4-6-20(17)21/h3-8,11-12,18,21,25H,9-10,13-15H2,1-2H3,(H,23,26)/t18-,21-/m1/s1
InChIKeyDCKFTZPUTYMNAH-WIYYLYMNSA-N
XLogP3.45
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide?
The IUPAC name of (4R)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide (CID 153328550) is (4R)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide.
What is the SMILES notation for (4R)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide?
The canonical SMILES for (4R)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide is CN(C)[C@H](CCC(=O)N[C@@H]1CCc2ccccc21)Cc1ccc(O)cc1.
What is the InChIKey of (4R)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide?
The InChIKey is DCKFTZPUTYMNAH-WIYYLYMNSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-24(2)18(15-16-7-11-19(25)12-8-16)10-14-22(26)23-21-13-9-17-5-3-4-6-20(17)21/h3-8,11-12,18,21,25H,9-10,13-15H2,1-2H3,(H,23,26)/t18-,21-/m1/s1.
What are the key properties of (4R)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide?
(4R)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide has a molecular weight of 352.48 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-(dimethylamino)-5-(4-hydroxyphenyl)pentanamide is sourced from PubChem (CID 153328550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).