2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

C23H29N3O — CID 34201318

IUPAC2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)CN(C)[C@@H]1CCc2ccccc21
InChIInChI=1S/C23H29N3O/c1-17-15-19(26-13-5-6-14-26)10-11-21(17)24-23(27)16-25(2)22-12-9-18-7-3-4-8-20(18)22/h3-4,7-8,10-11,15,22H,5-6,9,12-14,16H2,1-2H3,(H,24,27)/t22-/m1/s1
InChIKeyBFSCTWDOELHYQE-JOCHJYFZSA-N
MW363.51 g/mol
LogP4.15
Rot. Bonds5

About 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 34201318) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID34201318
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)CN(C)[C@@H]1CCc2ccccc21
InChIInChI=1S/C23H29N3O/c1-17-15-19(26-13-5-6-14-26)10-11-21(17)24-23(27)16-25(2)22-12-9-18-7-3-4-8-20(18)22/h3-4,7-8,10-11,15,22H,5-6,9,12-14,16H2,1-2H3,(H,24,27)/t22-/m1/s1
InChIKeyBFSCTWDOELHYQE-JOCHJYFZSA-N
XLogP4.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide
CID 36675023
N-(2,5-dimethylphenyl)-2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]acetamide
CID 46807738
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-naphthalen-1-ylacetamide
CID 36674335
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-methylphenyl)acetamide
CID 36674283
N-(2-chlorophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260612
N-(2,3-dihydro-1H-inden-5-yl)-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]acetamide
CID 36676150
4-(2-methyl-4-pyrrolidin-1-ylanilino)-4-oxobutanoic acid
CID 60662781
N-(2,6-dimethylphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260596
2-[cyclohexyl(2-hydroxypropyl)amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 51135124
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36680308
2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 18088648
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 36674496

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (CID 34201318) is 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is Cc1cc(N2CCCC2)ccc1NC(=O)CN(C)[C@@H]1CCc2ccccc21.
What is the InChIKey of 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is BFSCTWDOELHYQE-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H29N3O/c1-17-15-19(26-13-5-6-14-26)10-11-21(17)24-23(27)16-25(2)22-12-9-18-7-3-4-8-20(18)22/h3-4,7-8,10-11,15,22H,5-6,9,12-14,16H2,1-2H3,(H,24,27)/t22-/m1/s1.
What are the key properties of 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 363.51 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 34201318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).