N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,3-dihydroindole-1-carboxamide

C20H22N2O2 — CID 113214657

IUPACN-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,3-dihydroindole-1-carboxamide
SMILESCOc1ccc(C2(CNC(=O)N3CCc4ccccc43)CC2)cc1
InChIInChI=1S/C20H22N2O2/c1-24-17-8-6-16(7-9-17)20(11-12-20)14-21-19(23)22-13-10-15-4-2-3-5-18(15)22/h2-9H,10-14H2,1H3,(H,21,23)
InChIKeyPYTHGNFPUGGACH-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.50
Rot. Bonds4

About N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,3-dihydroindole-1-carboxamide

N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 113214657) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,3-dihydroindole-1-carboxamide
PubChem CID113214657
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,3-dihydroindole-1-carboxamide
SMILESCOc1ccc(C2(CNC(=O)N3CCc4ccccc43)CC2)cc1
InChIInChI=1S/C20H22N2O2/c1-24-17-8-6-16(7-9-17)20(11-12-20)14-21-19(23)22-13-10-15-4-2-3-5-18(15)22/h2-9H,10-14H2,1H3,(H,21,23)
InChIKeyPYTHGNFPUGGACH-UHFFFAOYSA-N
XLogP3.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,3-dihydroindole-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

N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110983513
N-[3-(4-methoxyphenyl)propyl]-2,3-dihydroindole-1-carboxamide
CID 60543023
N-(2-methoxyethyl)-2,3-dihydroindole-1-carboxamide
CID 47193672
N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide
CID 112971555
N-[(4-ethoxyphenoxy)methyl]-2,3-dihydroindole-1-carboxamide
CID 108890876
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110370754
3-(2,3-dihydroindol-1-yl)-N-[(4-methoxyphenyl)methyl]-3-oxopropanamide
CID 108947050
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984480
4-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide
CID 113214041
2-(2,3-dihydroindol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108507503
(2S)-2-(hydroxymethyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 75464751
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984479

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,3-dihydroindole-1-carboxamide (CID 113214657) is N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,3-dihydroindole-1-carboxamide is COc1ccc(C2(CNC(=O)N3CCc4ccccc43)CC2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is PYTHGNFPUGGACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-24-17-8-6-16(7-9-17)20(11-12-20)14-21-19(23)22-13-10-15-4-2-3-5-18(15)22/h2-9H,10-14H2,1H3,(H,21,23).
What are the key properties of N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,3-dihydroindole-1-carboxamide?
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 113214657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).