N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-3-phenoxypropanamide

C22H26N2O3 — CID 113084371

IUPACN-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-3-phenoxypropanamide
SMILESCOc1ccc2[nH]cc(C(C)(C)CNC(=O)CCOc3ccccc3)c2c1
InChIInChI=1S/C22H26N2O3/c1-22(2,19-14-23-20-10-9-17(26-3)13-18(19)20)15-24-21(25)11-12-27-16-7-5-4-6-8-16/h4-10,13-14,23H,11-12,15H2,1-3H3,(H,24,25)
InChIKeyJJKIHMMOLVXOHN-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.04
Rot. Bonds8

About N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-3-phenoxypropanamide

N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-3-phenoxypropanamide (PubChem CID 113084371) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-3-phenoxypropanamide
PubChem CID113084371
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-3-phenoxypropanamide
SMILESCOc1ccc2[nH]cc(C(C)(C)CNC(=O)CCOc3ccccc3)c2c1
InChIInChI=1S/C22H26N2O3/c1-22(2,19-14-23-20-10-9-17(26-3)13-18(19)20)15-24-21(25)11-12-27-16-7-5-4-6-8-16/h4-10,13-14,23H,11-12,15H2,1-3H3,(H,24,25)
InChIKeyJJKIHMMOLVXOHN-UHFFFAOYSA-N
XLogP4.04
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]benzamide
CID 113084348
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-2-(4-methoxyphenyl)acetamide
CID 113084367
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]cyclopropanecarboxamide
CID 113084339
3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 115153153
5-methoxy-3-(2-methylbutan-2-yl)-1H-indole
CID 106985577
N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331
3-(5-methoxy-1H-indol-3-yl)-3-methylbutan-1-amine
CID 84627056
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]propane-1-sulfonamide
CID 113084400
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 113084044
N-[2-(dimethylamino)-2-methylpropyl]-3-phenoxypropanamide
CID 112504871
N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-3-phenoxypropanamide (CID 113084371) is N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-3-phenoxypropanamide is COc1ccc2[nH]cc(C(C)(C)CNC(=O)CCOc3ccccc3)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-3-phenoxypropanamide?
The InChIKey is JJKIHMMOLVXOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-22(2,19-14-23-20-10-9-17(26-3)13-18(19)20)15-24-21(25)11-12-27-16-7-5-4-6-8-16/h4-10,13-14,23H,11-12,15H2,1-3H3,(H,24,25).
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-3-phenoxypropanamide?
N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-3-phenoxypropanamide has a molecular weight of 366.46 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-3-yl)-2-methylpropyl]-3-phenoxypropanamide is sourced from PubChem (CID 113084371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).