N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide

C21H22N2O2 — CID 71812161

IUPACN-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(ccn2Cc2ccc(C3CCOC3)cc2)c1
InChIInChI=1S/C21H22N2O2/c1-15(24)22-20-6-7-21-18(12-20)8-10-23(21)13-16-2-4-17(5-3-16)19-9-11-25-14-19/h2-8,10,12,19H,9,11,13-14H2,1H3,(H,22,24)
InChIKeyQAPHJWMEGWNJRR-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.15
Rot. Bonds4

About N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide

N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide (PubChem CID 71812161) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide
PubChem CID71812161
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(ccn2Cc2ccc(C3CCOC3)cc2)c1
InChIInChI=1S/C21H22N2O2/c1-15(24)22-20-6-7-21-18(12-20)8-10-23(21)13-16-2-4-17(5-3-16)19-9-11-25-14-19/h2-8,10,12,19H,9,11,13-14H2,1H3,(H,22,24)
InChIKeyQAPHJWMEGWNJRR-UHFFFAOYSA-N
XLogP4.15
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide?
The IUPAC name of N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide (CID 71812161) is N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide.
What is the SMILES notation for N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide?
The canonical SMILES for N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide is CC(=O)Nc1ccc2c(ccn2Cc2ccc(C3CCOC3)cc2)c1.
What is the InChIKey of N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide?
The InChIKey is QAPHJWMEGWNJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15(24)22-20-6-7-21-18(12-20)8-10-23(21)13-16-2-4-17(5-3-16)19-9-11-25-14-19/h2-8,10,12,19H,9,11,13-14H2,1H3,(H,22,24).
What are the key properties of N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide?
N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(oxolan-3-yl)phenyl]methyl]indol-5-yl]acetamide is sourced from PubChem (CID 71812161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).