2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide

C23H29N3O2 — CID 37058185

IUPAC2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(CN2CCOCC2)cc1)[C@H]1CCc2ccccc21
InChIInChI=1S/C23H29N3O2/c1-25(22-11-8-19-4-2-3-5-21(19)22)17-23(27)24-20-9-6-18(7-10-20)16-26-12-14-28-15-13-26/h2-7,9-10,22H,8,11-17H2,1H3,(H,24,27)/t22-/m0/s1
InChIKeyYQKBFBIOORQHDA-QFIPXVFZSA-N
MW379.50 g/mol
LogP3.08
Rot. Bonds6

About 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide

2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (PubChem CID 37058185) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
PubChem CID37058185
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1ccc(CN2CCOCC2)cc1)[C@H]1CCc2ccccc21
InChIInChI=1S/C23H29N3O2/c1-25(22-11-8-19-4-2-3-5-21(19)22)17-23(27)24-20-9-6-18(7-10-20)16-26-12-14-28-15-13-26/h2-7,9-10,22H,8,11-17H2,1H3,(H,24,27)/t22-/m0/s1
InChIKeyYQKBFBIOORQHDA-QFIPXVFZSA-N
XLogP3.08
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-methylphenyl)acetamide
CID 36674283
4-[[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 36677187
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 26628380
2-[(2-chlorophenyl)methyl-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 26623732
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 36674496
N-(4-acetamidophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9261093
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-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
2-[benzyl(propyl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 29233711
2-(N-methyl-4-phenoxyanilino)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60616616

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide (CID 37058185) is 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is CN(CC(=O)Nc1ccc(CN2CCOCC2)cc1)[C@H]1CCc2ccccc21.
What is the InChIKey of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
The InChIKey is YQKBFBIOORQHDA-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-25(22-11-8-19-4-2-3-5-21(19)22)17-23(27)24-20-9-6-18(7-10-20)16-26-12-14-28-15-13-26/h2-7,9-10,22H,8,11-17H2,1H3,(H,24,27)/t22-/m0/s1.
What are the key properties of 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide?
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 37058185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).