N-[3-(4-aminooxan-4-yl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide

C22H25N3O2 — CID 167785543

IUPACN-[3-(4-aminooxan-4-yl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide
SMILESCc1cccc2c(CC(=O)Nc3cccc(C4(N)CCOCC4)c3)c[nH]c12
InChIInChI=1S/C22H25N3O2/c1-15-4-2-7-19-16(14-24-21(15)19)12-20(26)25-18-6-3-5-17(13-18)22(23)8-10-27-11-9-22/h2-7,13-14,24H,8-12,23H2,1H3,(H,25,26)
InChIKeyOXWHXUWSCITPIT-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.62
Rot. Bonds4

About N-[3-(4-aminooxan-4-yl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide

N-[3-(4-aminooxan-4-yl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide (PubChem CID 167785543) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[3-(4-aminooxan-4-yl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[3-(4-aminooxan-4-yl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide
PubChem CID167785543
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[3-(4-aminooxan-4-yl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide
SMILESCc1cccc2c(CC(=O)Nc3cccc(C4(N)CCOCC4)c3)c[nH]c12
InChIInChI=1S/C22H25N3O2/c1-15-4-2-7-19-16(14-24-21(15)19)12-20(26)25-18-6-3-5-17(13-18)22(23)8-10-27-11-9-22/h2-7,13-14,24H,8-12,23H2,1H3,(H,25,26)
InChIKeyOXWHXUWSCITPIT-UHFFFAOYSA-N
XLogP3.62
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]oxan-4-yl]acetic acid
CID 119215017
N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide
CID 154832638
N-[(3-hydroxythiolan-3-yl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide
CID 111597192
2-(7-methyl-1H-indol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110849461
2-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 119225264
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312
ethyl 3-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]pyridine-2-carboxylate
CID 75373207
N-[(2-hydroxycyclopentyl)methyl]-2-(7-methyl-1H-indol-3-yl)acetamide
CID 111471037
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(7-methyl-1H-indol-3-yl)acetamide
CID 111482566
3-hydroxy-4-[[2-(7-methyl-1H-indol-3-yl)acetyl]amino]butanoic acid
CID 138048367
N-[4-(2-hydroxyethyl)phenyl]-3-(7-methyl-1H-indol-3-yl)propanamide
CID 111487131
N,N-diethyl-2-(7-methyl-1H-indol-3-yl)acetamide
CID 110855149

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminooxan-4-yl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[3-(4-aminooxan-4-yl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide (CID 167785543) is N-[3-(4-aminooxan-4-yl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[3-(4-aminooxan-4-yl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[3-(4-aminooxan-4-yl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide is Cc1cccc2c(CC(=O)Nc3cccc(C4(N)CCOCC4)c3)c[nH]c12.
What is the InChIKey of N-[3-(4-aminooxan-4-yl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide?
The InChIKey is OXWHXUWSCITPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-4-2-7-19-16(14-24-21(15)19)12-20(26)25-18-6-3-5-17(13-18)22(23)8-10-27-11-9-22/h2-7,13-14,24H,8-12,23H2,1H3,(H,25,26).
What are the key properties of N-[3-(4-aminooxan-4-yl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide?
N-[3-(4-aminooxan-4-yl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide has a molecular weight of 363.46 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminooxan-4-yl)phenyl]-2-(7-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 167785543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).