3-[[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N-dimethylbenzamide

C19H22N2O2 — CID 164637280

IUPAC3-[[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CN[C@H]2CCc3c(O)cccc32)c1
InChIInChI=1S/C19H22N2O2/c1-21(2)19(23)14-6-3-5-13(11-14)12-20-17-10-9-16-15(17)7-4-8-18(16)22/h3-8,11,17,20,22H,9-10,12H2,1-2H3/t17-/m0/s1
InChIKeyTYFVRKGAOJOCKB-KRWDZBQOSA-N
MW310.40 g/mol
LogP2.87
Rot. Bonds4

About 3-[[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N-dimethylbenzamide

3-[[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N-dimethylbenzamide (PubChem CID 164637280) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-[[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N-dimethylbenzamide
PubChem CID164637280
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name3-[[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CN[C@H]2CCc3c(O)cccc32)c1
InChIInChI=1S/C19H22N2O2/c1-21(2)19(23)14-6-3-5-13(11-14)12-20-17-10-9-16-15(17)7-4-8-18(16)22/h3-8,11,17,20,22H,9-10,12H2,1-2H3/t17-/m0/s1
InChIKeyTYFVRKGAOJOCKB-KRWDZBQOSA-N
XLogP2.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N-dimethylbenzamide (CID 164637280) is 3-[[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(CN[C@H]2CCc3c(O)cccc32)c1.
What is the InChIKey of 3-[[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is TYFVRKGAOJOCKB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-21(2)19(23)14-6-3-5-13(11-14)12-20-17-10-9-16-15(17)7-4-8-18(16)22/h3-8,11,17,20,22H,9-10,12H2,1-2H3/t17-/m0/s1.
What are the key properties of 3-[[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N-dimethylbenzamide?
3-[[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 310.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 164637280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).