1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one

C24H30N2O3 — CID 3066297

IUPAC1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one
SMILESCC(C)(C)NCC(O)COc1ccccc1C(=O)CCc1cccc2[nH]ccc12
InChIInChI=1S/C24H30N2O3/c1-24(2,3)26-15-18(27)16-29-23-10-5-4-8-20(23)22(28)12-11-17-7-6-9-21-19(17)13-14-25-21/h4-10,13-14,18,25-27H,11-12,15-16H2,1-3H3
InChIKeyUWPLIZCLRBHFQA-UHFFFAOYSA-N
MW394.51 g/mol
LogP4.11
Rot. Bonds9

About 1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one

1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one (PubChem CID 3066297) has the molecular formula C24H30N2O3 and a molecular weight of 394.51 g/mol. Its IUPAC name is 1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one
PubChem CID3066297
Molecular FormulaC24H30N2O3
Molecular Weight394.51 g/mol
Exact Mass394.23
IUPAC Name1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one
SMILESCC(C)(C)NCC(O)COc1ccccc1C(=O)CCc1cccc2[nH]ccc12
InChIInChI=1S/C24H30N2O3/c1-24(2,3)26-15-18(27)16-29-23-10-5-4-8-20(23)22(28)12-11-17-7-6-9-21-19(17)13-14-25-21/h4-10,13-14,18,25-27H,11-12,15-16H2,1-3H3
InChIKeyUWPLIZCLRBHFQA-UHFFFAOYSA-N
XLogP4.11
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
CID 1353740
4-[3-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-oxopropyl]-1,3-dihydroindol-2-one
CID 3066299
1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one chloride
CID 53346768
1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]butan-1-one;oxalic acid
CID 117068857
(2R)-1-(tert-butylamino)-3-[2-[(R)-hydroxy(1H-indol-4-yl)methyl]phenoxy]propan-2-ol
CID 3077196
benzoic acid;(2R)-1-(tert-butylamino)-3-[2-[(S)-hydroxy(1H-indol-4-yl)methyl]phenoxy]propan-2-ol
CID 3077197
methyl 2-[3-(tert-butylamino)-2-hydroxypropoxy]benzoate
CID 13040879
but-2-enedioic acid;1-[2-[3-(1H-indol-4-yl)propyl]phenoxy]-3-(propylamino)propan-2-ol
CID 53446663
2-hydroxybenzoic acid;1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 67681123
2,2,2-trifluoro-N-[2-[[2-hydroxy-3-(1H-indol-4-yloxy)propyl]amino]-2-methylpropyl]acetamide
CID 542557
1-[2-[2-(1H-indol-4-yl)ethyl]phenoxy]propan-2-ol
CID 139632843
but-2-enedioate;1-[2-[3-(1H-indol-4-yl)propyl]phenoxy]-3-(propylamino)propan-2-ol
CID 53422007

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one?
The IUPAC name of 1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one (CID 3066297) is 1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one.
What is the SMILES notation for 1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one?
The canonical SMILES for 1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one is CC(C)(C)NCC(O)COc1ccccc1C(=O)CCc1cccc2[nH]ccc12.
What is the InChIKey of 1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one?
The InChIKey is UWPLIZCLRBHFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-24(2,3)26-15-18(27)16-29-23-10-5-4-8-20(23)22(28)12-11-17-7-6-9-21-19(17)13-14-25-21/h4-10,13-14,18,25-27H,11-12,15-16H2,1-3H3.
What are the key properties of 1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one?
1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one has a molecular weight of 394.51 g/mol, XLogP of 4.11, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-(1H-indol-4-yl)propan-1-one is sourced from PubChem (CID 3066297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).