1-(2,3-dihydroindole-1-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide

C21H22N2O2 — CID 108975402

IUPAC1-(2,3-dihydroindole-1-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(C(=O)N2CCc3ccccc32)CC1)c1ccccc1
InChIInChI=1S/C21H22N2O2/c1-15(16-7-3-2-4-8-16)22-19(24)21(12-13-21)20(25)23-14-11-17-9-5-6-10-18(17)23/h2-10,15H,11-14H2,1H3,(H,22,24)
InChIKeyGNUSFVNIYBGWFG-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.23
Rot. Bonds4

About 1-(2,3-dihydroindole-1-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide

1-(2,3-dihydroindole-1-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide (PubChem CID 108975402) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(2,3-dihydroindole-1-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydroindole-1-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
PubChem CID108975402
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name1-(2,3-dihydroindole-1-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(C(=O)N2CCc3ccccc32)CC1)c1ccccc1
InChIInChI=1S/C21H22N2O2/c1-15(16-7-3-2-4-8-16)22-19(24)21(12-13-21)20(25)23-14-11-17-9-5-6-10-18(17)23/h2-10,15H,11-14H2,1H3,(H,22,24)
InChIKeyGNUSFVNIYBGWFG-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-(2,3-dihydroindole-1-carbonyl)-N-(1-phenylethyl)cyclopropane-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

1-(azepane-1-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 108975396
1-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 108980844
1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide
CID 68623726
1-(2,3-dihydroindole-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108974961
N-(2-tert-butylphenyl)-1-(2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108981061
(2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one
CID 134943813
N-(1-phenylethyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975381
1-(2,3-dihydroindole-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 108981079
1-(2,3-dihydroindole-1-carbonyl)-N-[(2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 108976201
N-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110922742
ethyl 4-[[1-(2,3-dihydroindole-1-carbonyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 108978650
1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108971193

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindole-1-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2,3-dihydroindole-1-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide (CID 108975402) is 1-(2,3-dihydroindole-1-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2,3-dihydroindole-1-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2,3-dihydroindole-1-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide is CC(NC(=O)C1(C(=O)N2CCc3ccccc32)CC1)c1ccccc1.
What is the InChIKey of 1-(2,3-dihydroindole-1-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide?
The InChIKey is GNUSFVNIYBGWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15(16-7-3-2-4-8-16)22-19(24)21(12-13-21)20(25)23-14-11-17-9-5-6-10-18(17)23/h2-10,15H,11-14H2,1H3,(H,22,24).
What are the key properties of 1-(2,3-dihydroindole-1-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide?
1-(2,3-dihydroindole-1-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindole-1-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108975402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).