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

C21H24N2O2 — CID 97109671

IUPAC3-[[[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CNC(=O)C[C@@H]2CCc3ccccc32)c1
InChIInChI=1S/C21H24N2O2/c1-23(2)21(25)18-8-5-6-15(12-18)14-22-20(24)13-17-11-10-16-7-3-4-9-19(16)17/h3-9,12,17H,10-11,13-14H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyGCSHEJQDMRFIIP-KRWDZBQOSA-N
MW336.44 g/mol
LogP3.12
Rot. Bonds5

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

3-[[[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]methyl]-N,N-dimethylbenzamide (PubChem CID 97109671) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-[[[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]methyl]-N,N-dimethylbenzamide
PubChem CID97109671
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name3-[[[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(CNC(=O)C[C@@H]2CCc3ccccc32)c1
InChIInChI=1S/C21H24N2O2/c1-23(2)21(25)18-8-5-6-15(12-18)14-22-20(24)13-17-11-10-16-7-3-4-9-19(16)17/h3-9,12,17H,10-11,13-14H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyGCSHEJQDMRFIIP-KRWDZBQOSA-N
XLogP3.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955231
2-(2,3-dihydro-1H-inden-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 86955297
2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
CID 77089339
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 97113053
N-[(4-bromophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955694
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 86955757
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 97118131
N-benzyl-2-(6-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 24881783
N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide
CID 46424485
2-(2,3-dihydro-1H-inden-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 72911353
2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(dimethylamino)cyclohexyl]methyl]acetamide
CID 163312235
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
CID 111436249

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]methyl]-N,N-dimethylbenzamide (CID 97109671) is 3-[[[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(CNC(=O)C[C@@H]2CCc3ccccc32)c1.
What is the InChIKey of 3-[[[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is GCSHEJQDMRFIIP-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-23(2)21(25)18-8-5-6-15(12-18)14-22-20(24)13-17-11-10-16-7-3-4-9-19(16)17/h3-9,12,17H,10-11,13-14H2,1-2H3,(H,22,24)/t17-/m0/s1.
What are the key properties of 3-[[[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]methyl]-N,N-dimethylbenzamide?
3-[[[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 336.44 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetyl]amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 97109671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).