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

C21H25N3O2 — CID 36677187

IUPAC4-[[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-23(2)21(26)16-8-11-17(12-9-16)22-20(25)14-24(3)19-13-10-15-6-4-5-7-18(15)19/h4-9,11-12,19H,10,13-14H2,1-3H3,(H,22,25)/t19-/m0/s1
InChIKeyPGSHNRHYRIOCSC-IBGZPJMESA-N
MW351.45 g/mol
LogP2.95
Rot. Bonds5

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

4-[[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 36677187) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-[[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N,N-dimethylbenzamide
PubChem CID36677187
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-[[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)cc1
InChIInChI=1S/C21H25N3O2/c1-23(2)21(26)16-8-11-17(12-9-16)22-20(25)14-24(3)19-13-10-15-6-4-5-7-18(15)19/h4-9,11-12,19H,10,13-14H2,1-3H3,(H,22,25)/t19-/m0/s1
InChIKeyPGSHNRHYRIOCSC-IBGZPJMESA-N
XLogP2.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]benzamide
CID 9260477
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-methylphenyl)acetamide
CID 36674283
N-(4-acetamidophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9261093
N-(2,3-dihydro-1H-inden-5-yl)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide
CID 36676150
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 36674099
N-[4-(difluoromethylsulfanyl)phenyl]-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide
CID 55533983
N-[4-(difluoromethylsulfonyl)phenyl]-2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]acetamide
CID 55534372
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 134043135
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-ethylacetamide
CID 134043159
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 51076004
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 36674496
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 37058185

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N,N-dimethylbenzamide (CID 36677187) is 4-[[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)cc1.
What is the InChIKey of 4-[[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is PGSHNRHYRIOCSC-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25N3O2/c1-23(2)21(26)16-8-11-17(12-9-16)22-20(25)14-24(3)19-13-10-15-6-4-5-7-18(15)19/h4-9,11-12,19H,10,13-14H2,1-3H3,(H,22,25)/t19-/m0/s1.
What are the key properties of 4-[[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N,N-dimethylbenzamide?
4-[[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 351.45 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 36677187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).