2-[amino(phenyl)methyl]-1-(2,3-dihydroindol-1-yl)cyclobutane-1-carboxamide

C20H23N3O — CID 66709697

IUPAC2-[amino(phenyl)methyl]-1-(2,3-dihydroindol-1-yl)cyclobutane-1-carboxamide
SMILESNC(=O)C1(N2CCc3ccccc32)CCC1C(N)c1ccccc1
InChIInChI=1S/C20H23N3O/c21-18(15-7-2-1-3-8-15)16-10-12-20(16,19(22)24)23-13-11-14-6-4-5-9-17(14)23/h1-9,16,18H,10-13,21H2,(H2,22,24)
InChIKeyCNHYXRUOGDCXHJ-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.38
Rot. Bonds4

About 2-[amino(phenyl)methyl]-1-(2,3-dihydroindol-1-yl)cyclobutane-1-carboxamide

2-[amino(phenyl)methyl]-1-(2,3-dihydroindol-1-yl)cyclobutane-1-carboxamide (PubChem CID 66709697) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[amino(phenyl)methyl]-1-(2,3-dihydroindol-1-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name2-[amino(phenyl)methyl]-1-(2,3-dihydroindol-1-yl)cyclobutane-1-carboxamide
PubChem CID66709697
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-[amino(phenyl)methyl]-1-(2,3-dihydroindol-1-yl)cyclobutane-1-carboxamide
SMILESNC(=O)C1(N2CCc3ccccc32)CCC1C(N)c1ccccc1
InChIInChI=1S/C20H23N3O/c21-18(15-7-2-1-3-8-15)16-10-12-20(16,19(22)24)23-13-11-14-6-4-5-9-17(14)23/h1-9,16,18H,10-13,21H2,(H2,22,24)
InChIKeyCNHYXRUOGDCXHJ-UHFFFAOYSA-N
XLogP2.38
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[amino(phenyl)methyl]-1-(2,3-dihydroindol-1-yl)cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1-(2,3-dihydroindol-1-yl)-2-phenylethanone
CID 20930646
3-(2,3-dihydroindol-1-yl)oxolane-3-carboxylic acid
CID 84795983
3-(2,3-dihydroindol-1-yl)pyrrolidine-3-carboxylic acid
CID 84795452
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,3-dihydroindol-1-yl)-2-phenylethanone
CID 120818052
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,3-dihydroindol-1-yl)-2-phenylethanone;dihydrochloride
CID 120818051
(2S)-2-amino-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone
CID 104897098
(2R)-1-(2,3-dihydroindol-1-yl)-2-(4-hydroxypiperidin-1-yl)-2-phenylethanone
CID 124605958
(2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one
CID 134943813
2,3-dihydroindol-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926283
2,3-dihydroindol-1-ylurea
CID 22353227
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
2-(2,3-dihydroindol-1-yl)-1,2-diphenylethanone
CID 139234692

Frequently Asked Questions

What is the IUPAC name of 2-[amino(phenyl)methyl]-1-(2,3-dihydroindol-1-yl)cyclobutane-1-carboxamide?
The IUPAC name of 2-[amino(phenyl)methyl]-1-(2,3-dihydroindol-1-yl)cyclobutane-1-carboxamide (CID 66709697) is 2-[amino(phenyl)methyl]-1-(2,3-dihydroindol-1-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 2-[amino(phenyl)methyl]-1-(2,3-dihydroindol-1-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 2-[amino(phenyl)methyl]-1-(2,3-dihydroindol-1-yl)cyclobutane-1-carboxamide is NC(=O)C1(N2CCc3ccccc32)CCC1C(N)c1ccccc1.
What is the InChIKey of 2-[amino(phenyl)methyl]-1-(2,3-dihydroindol-1-yl)cyclobutane-1-carboxamide?
The InChIKey is CNHYXRUOGDCXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c21-18(15-7-2-1-3-8-15)16-10-12-20(16,19(22)24)23-13-11-14-6-4-5-9-17(14)23/h1-9,16,18H,10-13,21H2,(H2,22,24).
What are the key properties of 2-[amino(phenyl)methyl]-1-(2,3-dihydroindol-1-yl)cyclobutane-1-carboxamide?
2-[amino(phenyl)methyl]-1-(2,3-dihydroindol-1-yl)cyclobutane-1-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(phenyl)methyl]-1-(2,3-dihydroindol-1-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 66709697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).