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

C19H22N2O2 — CID 60543023

IUPACN-[3-(4-methoxyphenyl)propyl]-2,3-dihydroindole-1-carboxamide
SMILESCOc1ccc(CCCNC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C19H22N2O2/c1-23-17-10-8-15(9-11-17)5-4-13-20-19(22)21-14-12-16-6-2-3-7-18(16)21/h2-3,6-11H,4-5,12-14H2,1H3,(H,20,22)
InChIKeyGBGNYPMLAIRTMX-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.40
Rot. Bonds5

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

N-[3-(4-methoxyphenyl)propyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 60543023) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)propyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)propyl]-2,3-dihydroindole-1-carboxamide
PubChem CID60543023
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[3-(4-methoxyphenyl)propyl]-2,3-dihydroindole-1-carboxamide
SMILESCOc1ccc(CCCNC(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C19H22N2O2/c1-23-17-10-8-15(9-11-17)5-4-13-20-19(22)21-14-12-16-6-2-3-7-18(16)21/h2-3,6-11H,4-5,12-14H2,1H3,(H,20,22)
InChIKeyGBGNYPMLAIRTMX-UHFFFAOYSA-N
XLogP3.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydroindol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108507503
N-(3-phenylpropyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69224185
N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990483
4-(2,3-dihydroindol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 43910261
methyl 5-(2,3-dihydroindole-1-carbonylamino)pentanoate
CID 60591298
N-(2-methoxyethyl)-2,3-dihydroindole-1-carboxamide
CID 47193672
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 113217130
N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide
CID 112971555
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,3-dihydroindole-1-carboxamide
CID 113214657
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
2-(2,3-dihydroindol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 8704403

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)propyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-[3-(4-methoxyphenyl)propyl]-2,3-dihydroindole-1-carboxamide (CID 60543023) is N-[3-(4-methoxyphenyl)propyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)propyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)propyl]-2,3-dihydroindole-1-carboxamide is COc1ccc(CCCNC(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)propyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is GBGNYPMLAIRTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-23-17-10-8-15(9-11-17)5-4-13-20-19(22)21-14-12-16-6-2-3-7-18(16)21/h2-3,6-11H,4-5,12-14H2,1H3,(H,20,22).
What are the key properties of N-[3-(4-methoxyphenyl)propyl]-2,3-dihydroindole-1-carboxamide?
N-[3-(4-methoxyphenyl)propyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)propyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 60543023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).