[(1R,2R)-2-[amino(phenyl)methyl]cyclobutyl]-indol-1-ylmethanone

C20H20N2O — CID 46928296

IUPAC[(1R,2R)-2-[amino(phenyl)methyl]cyclobutyl]-indol-1-ylmethanone
SMILESNC(c1ccccc1)[C@@H]1CC[C@H]1C(=O)n1ccc2ccccc21
InChIInChI=1S/C20H20N2O/c21-19(15-7-2-1-3-8-15)16-10-11-17(16)20(23)22-13-12-14-6-4-5-9-18(14)22/h1-9,12-13,16-17,19H,10-11,21H2/t16-,17-,19?/m1/s1
InChIKeyKWFZRSCEMMAIBT-QNZPCDNOSA-N
MW304.39 g/mol
LogP4.01
Rot. Bonds3

About [(1R,2R)-2-[amino(phenyl)methyl]cyclobutyl]-indol-1-ylmethanone

[(1R,2R)-2-[amino(phenyl)methyl]cyclobutyl]-indol-1-ylmethanone (PubChem CID 46928296) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is [(1R,2R)-2-[amino(phenyl)methyl]cyclobutyl]-indol-1-ylmethanone.

Molecular Properties

Compound Name[(1R,2R)-2-[amino(phenyl)methyl]cyclobutyl]-indol-1-ylmethanone
PubChem CID46928296
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name[(1R,2R)-2-[amino(phenyl)methyl]cyclobutyl]-indol-1-ylmethanone
SMILESNC(c1ccccc1)[C@@H]1CC[C@H]1C(=O)n1ccc2ccccc21
InChIInChI=1S/C20H20N2O/c21-19(15-7-2-1-3-8-15)16-10-11-17(16)20(23)22-13-12-14-6-4-5-9-18(14)22/h1-9,12-13,16-17,19H,10-11,21H2/t16-,17-,19?/m1/s1
InChIKeyKWFZRSCEMMAIBT-QNZPCDNOSA-N
XLogP4.01
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,2S)-2-[amino(phenyl)methyl]-N,N-diethylcyclopropane-1-carboxamide
CID 71293368
2-(1,1-dioxothiolan-2-yl)-1-indol-1-ylethanone
CID 10850154
2,2-dichloro-1-indol-1-ylethanone
CID 15325054
1-indol-1-yl-2-phenylethanone
CID 118536016
(2S,3S)-2,3-dihydroxybutanedioic acid;trans-methyl (1S,2S)-2-[(S)-amino(phenyl)methyl]cyclopropane-1-carboxylate
CID 11717354
fluoro indole-1-carboxylate
CID 129249849
4-[(R)-amino(phenyl)methyl]piperidine-1-carboxylic acid
CID 66689619
cyclohexen-1-yl(indol-1-yl)methanone
CID 71503982
2-[amino-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116938559
(R)-[(2R,3R)-3-amino-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl]-phenylmethanol
CID 10588668
3-phenylpropyl indole-1-carboxylate
CID 86239500
indol-1-yl-(4-methylphenyl)methanone
CID 10955526

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-[amino(phenyl)methyl]cyclobutyl]-indol-1-ylmethanone?
The IUPAC name of [(1R,2R)-2-[amino(phenyl)methyl]cyclobutyl]-indol-1-ylmethanone (CID 46928296) is [(1R,2R)-2-[amino(phenyl)methyl]cyclobutyl]-indol-1-ylmethanone.
What is the SMILES notation for [(1R,2R)-2-[amino(phenyl)methyl]cyclobutyl]-indol-1-ylmethanone?
The canonical SMILES for [(1R,2R)-2-[amino(phenyl)methyl]cyclobutyl]-indol-1-ylmethanone is NC(c1ccccc1)[C@@H]1CC[C@H]1C(=O)n1ccc2ccccc21.
What is the InChIKey of [(1R,2R)-2-[amino(phenyl)methyl]cyclobutyl]-indol-1-ylmethanone?
The InChIKey is KWFZRSCEMMAIBT-QNZPCDNOSA-N. The full InChI is InChI=1S/C20H20N2O/c21-19(15-7-2-1-3-8-15)16-10-11-17(16)20(23)22-13-12-14-6-4-5-9-18(14)22/h1-9,12-13,16-17,19H,10-11,21H2/t16-,17-,19?/m1/s1.
What are the key properties of [(1R,2R)-2-[amino(phenyl)methyl]cyclobutyl]-indol-1-ylmethanone?
[(1R,2R)-2-[amino(phenyl)methyl]cyclobutyl]-indol-1-ylmethanone has a molecular weight of 304.39 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-[amino(phenyl)methyl]cyclobutyl]-indol-1-ylmethanone is sourced from PubChem (CID 46928296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).