[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-(1H-indol-3-yl)methanone

C23H28N2O2 — CID 86147532

IUPAC[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-(1H-indol-3-yl)methanone
SMILESCC(C)N(CCOc1ccc(C(=O)c2c[nH]c3ccccc23)cc1)C(C)C
InChIInChI=1S/C23H28N2O2/c1-16(2)25(17(3)4)13-14-27-19-11-9-18(10-12-19)23(26)21-15-24-22-8-6-5-7-20(21)22/h5-12,15-17,24H,13-14H2,1-4H3
InChIKeyAISAPJBMYHDBRC-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.90
Rot. Bonds8

About [4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-(1H-indol-3-yl)methanone

[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-(1H-indol-3-yl)methanone (PubChem CID 86147532) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is [4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-(1H-indol-3-yl)methanone
PubChem CID86147532
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-(1H-indol-3-yl)methanone
SMILESCC(C)N(CCOc1ccc(C(=O)c2c[nH]c3ccccc23)cc1)C(C)C
InChIInChI=1S/C23H28N2O2/c1-16(2)25(17(3)4)13-14-27-19-11-9-18(10-12-19)23(26)21-15-24-22-8-6-5-7-20(21)22/h5-12,15-17,24H,13-14H2,1-4H3
InChIKeyAISAPJBMYHDBRC-UHFFFAOYSA-N
XLogP4.90
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(1H-indole-3-carbonyl)benzoate
CID 139561809
[4-(diethylamino)phenyl]-(1H-indol-3-yl)methanone
CID 4256394
[2-(1H-indol-3-yl)-2-oxoethyl] 4-(3-methylbutoxy)benzoate
CID 4014387
1H-indol-3-yl-(4-iodophenyl)methanone
CID 43339241
1H-indol-3-yl-[4-[5-(4-propylphenyl)pentan-2-yloxy]phenyl]methanone
CID 57043470
phenyl-(5-propan-2-yloxy-1H-indol-3-yl)methanone
CID 80649114
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate
CID 9139492
4-[2-[di(propan-2-yl)amino]ethoxy]phenol
CID 22975491
3-[1H-indole-3-carbonyl(propan-2-yl)amino]propanoic acid
CID 60830552
1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone
CID 43339248
methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate
CID 139570456
N-(2-phenoxyethyl)-1H-indole-3-carboxamide
CID 17447492

Frequently Asked Questions

What is the IUPAC name of [4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-(1H-indol-3-yl)methanone?
The IUPAC name of [4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-(1H-indol-3-yl)methanone (CID 86147532) is [4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-(1H-indol-3-yl)methanone.
What is the SMILES notation for [4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-(1H-indol-3-yl)methanone?
The canonical SMILES for [4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-(1H-indol-3-yl)methanone is CC(C)N(CCOc1ccc(C(=O)c2c[nH]c3ccccc23)cc1)C(C)C.
What is the InChIKey of [4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-(1H-indol-3-yl)methanone?
The InChIKey is AISAPJBMYHDBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-16(2)25(17(3)4)13-14-27-19-11-9-18(10-12-19)23(26)21-15-24-22-8-6-5-7-20(21)22/h5-12,15-17,24H,13-14H2,1-4H3.
What are the key properties of [4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-(1H-indol-3-yl)methanone?
[4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-(1H-indol-3-yl)methanone has a molecular weight of 364.49 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[di(propan-2-yl)amino]ethoxy]phenyl]-(1H-indol-3-yl)methanone is sourced from PubChem (CID 86147532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).