N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide

C32H34N2O3 — CID 22522018

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCC(C)C4)cc2)cc1OC
InChIInChI=1S/C32H34N2O3/c1-22-9-15-28-26(19-22)21-29(24-7-5-4-6-8-24)34(28)27-13-11-25(12-14-27)32(35)33-18-17-23-10-16-30(36-2)31(20-23)37-3/h4-8,10-14,16,20-22H,9,15,17-19H2,1-3H3,(H,33,35)
InChIKeyTXIGROQSXDHQMY-UHFFFAOYSA-N
MW494.64 g/mol
LogP6.26
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide (PubChem CID 22522018) has the molecular formula C32H34N2O3 and a molecular weight of 494.64 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
PubChem CID22522018
Molecular FormulaC32H34N2O3
Molecular Weight494.64 g/mol
Exact Mass494.26
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCC(C)C4)cc2)cc1OC
InChIInChI=1S/C32H34N2O3/c1-22-9-15-28-26(19-22)21-29(24-7-5-4-6-8-24)34(28)27-13-11-25(12-14-27)32(35)33-18-17-23-10-16-30(36-2)31(20-23)37-3/h4-8,10-14,16,20-22H,9,15,17-19H2,1-3H3,(H,33,35)
InChIKeyTXIGROQSXDHQMY-UHFFFAOYSA-N
XLogP6.26
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.64
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-bromophenyl)methyl]-4-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 22522043
N-[2-(dimethylamino)ethyl]-4-(5-methyl-2-pyridin-3-yl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 25097528
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110295138
N-[2-[[N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111213306
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119263813
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide
CID 26733446
N-[(4-methylphenyl)methyl]-4-(2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 20886155
N-(2,5-dimethoxyphenyl)-4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)benzamide
CID 46272459
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011514
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]-4-phenylbenzamide
CID 108538456
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 92685926
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-dioxoisoindol-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide (CID 22522018) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide is COc1ccc(CCNC(=O)c2ccc(-n3c(-c4ccccc4)cc4c3CCC(C)C4)cc2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
The InChIKey is TXIGROQSXDHQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O3/c1-22-9-15-28-26(19-22)21-29(24-7-5-4-6-8-24)34(28)27-13-11-25(12-14-27)32(35)33-18-17-23-10-16-30(36-2)31(20-23)37-3/h4-8,10-14,16,20-22H,9,15,17-19H2,1-3H3,(H,33,35).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide has a molecular weight of 494.64 g/mol, XLogP of 6.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(5-methyl-2-phenyl-4,5,6,7-tetrahydroindol-1-yl)benzamide is sourced from PubChem (CID 22522018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).