3-(dimethylamino)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one

C20H22N2O2 — CID 170858023

IUPAC3-(dimethylamino)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one
SMILESCN(C)CCC(=O)c1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C20H22N2O2/c1-22(2)11-10-20(23)18-13-21-19-9-8-16(12-17(18)19)24-14-15-6-4-3-5-7-15/h3-9,12-13,21H,10-11,14H2,1-2H3
InChIKeyGEIOJTLQPIBKLR-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.88
Rot. Bonds7

About 3-(dimethylamino)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one

3-(dimethylamino)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one (PubChem CID 170858023) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one
PubChem CID170858023
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name3-(dimethylamino)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one
SMILESCN(C)CCC(=O)c1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C20H22N2O2/c1-22(2)11-10-20(23)18-13-21-19-9-8-16(12-17(18)19)24-14-15-6-4-3-5-7-15/h3-9,12-13,21H,10-11,14H2,1-2H3
InChIKeyGEIOJTLQPIBKLR-UHFFFAOYSA-N
XLogP3.88
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone
CID 10891912
2-[2-(dimethylamino)ethylamino]-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid
CID 42650547
2-azido-1-(5-phenylmethoxy-1H-indol-3-yl)ethanone
CID 10902848
N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 25021298
4-oxo-4-(5-propoxy-1H-indol-3-yl)butanoic acid
CID 80643674
methyl 6-phenylmethoxy-1H-indole-3-carboxylate
CID 57455165
N,N-dimethyl-1-[2-(5-phenylmethoxy-1H-indol-3-yl)phenyl]methanamine
CID 174402839
(2S)-2-[4-[3-(dimethylamino)propyl]piperazin-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid
CID 39354333
N-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide
CID 157150353
1-(5-ethoxy-1H-indol-3-yl)heptan-1-one
CID 114752203
2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide
CID 24801935
methyl 2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate
CID 15946338

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one (CID 170858023) is 3-(dimethylamino)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one is CN(C)CCC(=O)c1c[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 3-(dimethylamino)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one?
The InChIKey is GEIOJTLQPIBKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-22(2)11-10-20(23)18-13-21-19-9-8-16(12-17(18)19)24-14-15-6-4-3-5-7-15/h3-9,12-13,21H,10-11,14H2,1-2H3.
What are the key properties of 3-(dimethylamino)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one?
3-(dimethylamino)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one has a molecular weight of 322.41 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 170858023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).