N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide

C22H24N2O2 — CID 113085807

IUPACN-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCC2(c3c(C)[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C22H24N2O2/c1-15-7-9-17(10-8-15)26-13-20(25)23-14-22(11-12-22)21-16(2)24-19-6-4-3-5-18(19)21/h3-10,24H,11-14H2,1-2H3,(H,23,25)
InChIKeyZPFAYQADMAEWGW-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.01
Rot. Bonds6

About N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide

N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide (PubChem CID 113085807) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide
PubChem CID113085807
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC NameN-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCC2(c3c(C)[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C22H24N2O2/c1-15-7-9-17(10-8-15)26-13-20(25)23-14-22(11-12-22)21-16(2)24-19-6-4-3-5-18(19)21/h3-10,24H,11-14H2,1-2H3,(H,23,25)
InChIKeyZPFAYQADMAEWGW-UHFFFAOYSA-N
XLogP4.01
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide
CID 113085795
2-(3-bromophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide
CID 113085824
2-(3-fluorophenyl)-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]acetamide
CID 113085814
4-chloro-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113085802
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide
CID 113085166
N-[(2-methyl-1H-indol-3-yl)methyl]-2-phenoxyacetamide
CID 110782317
2-[(2,3-dimethyl-1H-indol-5-yl)oxy]-N-[(4-methylphenyl)methyl]acetamide
CID 100638141
1-(2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)cyclopropane-1-carboxamide
CID 113211760
N-[2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl]-2-phenoxyacetamide
CID 2156420
2-(4-methylphenoxy)-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetamide
CID 84582542
2-(4-methylphenoxy)-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]acetamide
CID 91920212
2-methoxy-5-methyl-N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide
CID 113085851

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide (CID 113085807) is N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NCC2(c3c(C)[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is ZPFAYQADMAEWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-15-7-9-17(10-8-15)26-13-20(25)23-14-22(11-12-22)21-16(2)24-19-6-4-3-5-18(19)21/h3-10,24H,11-14H2,1-2H3,(H,23,25).
What are the key properties of N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide?
N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 348.45 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 113085807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).