N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-phenyloxane-4-carboxamide

C23H26N2O3 — CID 71692234

IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-phenyloxane-4-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)C3(c4ccccc4)CCOCC3)c2c1
InChIInChI=1S/C23H26N2O3/c1-27-19-7-8-21-20(15-19)17(16-25-21)9-12-24-22(26)23(10-13-28-14-11-23)18-5-3-2-4-6-18/h2-8,15-16,25H,9-14H2,1H3,(H,24,26)
InChIKeyWMAXERHIRHGSAK-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.58
Rot. Bonds6

About N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-phenyloxane-4-carboxamide

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-phenyloxane-4-carboxamide (PubChem CID 71692234) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-phenyloxane-4-carboxamide
PubChem CID71692234
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-phenyloxane-4-carboxamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)C3(c4ccccc4)CCOCC3)c2c1
InChIInChI=1S/C23H26N2O3/c1-27-19-7-8-21-20(15-19)17(16-25-21)9-12-24-22(26)23(10-13-28-14-11-23)18-5-3-2-4-6-18/h2-8,15-16,25H,9-14H2,1H3,(H,24,26)
InChIKeyWMAXERHIRHGSAK-UHFFFAOYSA-N
XLogP3.58
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-1-(5-methoxy-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113210779
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306
(4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 177382635
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
3-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]azetidine-3-carboxamide;formic acid
CID 172894834
N-ethylaniline;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 130246864
4-(4-fluorophenyl)-N-[2-(3-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 27456725
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea
CID 2972714
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 47880329
(2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
CID 7068767
N-[2-(1H-indol-3-yl)ethyl]-4-thiophen-2-yloxane-4-carboxamide
CID 7217402
1-(2-bromophenyl)-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 17171258

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-phenyloxane-4-carboxamide (CID 71692234) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-phenyloxane-4-carboxamide is COc1ccc2[nH]cc(CCNC(=O)C3(c4ccccc4)CCOCC3)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-phenyloxane-4-carboxamide?
The InChIKey is WMAXERHIRHGSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-27-19-7-8-21-20(15-19)17(16-25-21)9-12-24-22(26)23(10-13-28-14-11-23)18-5-3-2-4-6-18/h2-8,15-16,25H,9-14H2,1H3,(H,24,26).
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-phenyloxane-4-carboxamide?
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-phenyloxane-4-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 3.58, 6 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)ethyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 71692234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).