1-(1,2-dimethylindol-3-yl)-3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propan-1-one

C22H26N2O2 — CID 110180074

IUPAC1-(1,2-dimethylindol-3-yl)-3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propan-1-one
SMILESCc1c(C(=O)CCNC(C)C(O)c2ccccc2)c2ccccc2n1C
InChIInChI=1S/C22H26N2O2/c1-15(22(26)17-9-5-4-6-10-17)23-14-13-20(25)21-16(2)24(3)19-12-8-7-11-18(19)21/h4-12,15,22-23,26H,13-14H2,1-3H3
InChIKeyUDZOSALJHFGJJK-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.77
Rot. Bonds7

About 1-(1,2-dimethylindol-3-yl)-3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propan-1-one

1-(1,2-dimethylindol-3-yl)-3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propan-1-one (PubChem CID 110180074) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-(1,2-dimethylindol-3-yl)-3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(1,2-dimethylindol-3-yl)-3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propan-1-one
PubChem CID110180074
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-(1,2-dimethylindol-3-yl)-3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propan-1-one
SMILESCc1c(C(=O)CCNC(C)C(O)c2ccccc2)c2ccccc2n1C
InChIInChI=1S/C22H26N2O2/c1-15(22(26)17-9-5-4-6-10-17)23-14-13-20(25)21-16(2)24(3)19-12-8-7-11-18(19)21/h4-12,15,22-23,26H,13-14H2,1-3H3
InChIKeyUDZOSALJHFGJJK-UHFFFAOYSA-N
XLogP3.77
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1,2-dimethylindol-3-yl)-3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propan-1-one with MolForge

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Related Compounds

3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-phenylpropan-1-one
CID 122190791
3-[3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoyl]-2-methylchromen-4-one
CID 110174890
3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoic acid
CID 4299373
3-[(1-hydroxy-1-phenylpropan-2-yl)amino]-1-(2-methylcyclohexen-1-yl)propan-1-one
CID 110182601
1-(1,2-dimethylindol-3-yl)-2-(ethylamino)propan-1-one
CID 82294422
6-bromo-1-(1,2-dimethylindol-3-yl)hexan-1-one
CID 54117287
3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 122190796
1-(3-hydroxyphenyl)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]propan-1-one;hydrochloride
CID 122190812
2-[[2-(1,2-dimethylindol-3-yl)-2-oxoethyl]-methylamino]acetic acid
CID 82489066
(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
CID 14697423
3-[[(1R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one
CID 6321246
3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one;hydrochloride
CID 5492951

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylindol-3-yl)-3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propan-1-one?
The IUPAC name of 1-(1,2-dimethylindol-3-yl)-3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propan-1-one (CID 110180074) is 1-(1,2-dimethylindol-3-yl)-3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propan-1-one.
What is the SMILES notation for 1-(1,2-dimethylindol-3-yl)-3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propan-1-one?
The canonical SMILES for 1-(1,2-dimethylindol-3-yl)-3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propan-1-one is Cc1c(C(=O)CCNC(C)C(O)c2ccccc2)c2ccccc2n1C.
What is the InChIKey of 1-(1,2-dimethylindol-3-yl)-3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propan-1-one?
The InChIKey is UDZOSALJHFGJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-15(22(26)17-9-5-4-6-10-17)23-14-13-20(25)21-16(2)24(3)19-12-8-7-11-18(19)21/h4-12,15,22-23,26H,13-14H2,1-3H3.
What are the key properties of 1-(1,2-dimethylindol-3-yl)-3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propan-1-one?
1-(1,2-dimethylindol-3-yl)-3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propan-1-one has a molecular weight of 350.46 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylindol-3-yl)-3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propan-1-one is sourced from PubChem (CID 110180074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).