(2R)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide

C17H24N2O4 — CID 90682463

IUPAC(2R)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
SMILESCC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N1CCc2ccccc21
InChIInChI=1S/C17H24N2O4/c1-17(2,11-20)15(22)16(23)18-9-7-14(21)19-10-8-12-5-3-4-6-13(12)19/h3-6,15,20,22H,7-11H2,1-2H3,(H,18,23)/t15-/m0/s1
InChIKeyZSYFTVYJKNSZGZ-HNNXBMFYSA-N
MW320.39 g/mol
LogP0.46
Rot. Bonds6

About (2R)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide

(2R)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide (PubChem CID 90682463) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2R)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
PubChem CID90682463
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name(2R)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide
SMILESCC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N1CCc2ccccc21
InChIInChI=1S/C17H24N2O4/c1-17(2,11-20)15(22)16(23)18-9-7-14(21)19-10-8-12-5-3-4-6-13(12)19/h3-6,15,20,22H,7-11H2,1-2H3,(H,18,23)/t15-/m0/s1
InChIKeyZSYFTVYJKNSZGZ-HNNXBMFYSA-N
XLogP0.46
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide with MolForge

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Related Compounds

1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
2-chloro-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]benzamide
CID 2430048
N-[4-(2,3-dihydroindol-1-yl)-4-oxobutyl]acetamide
CID 47109240
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
methyl 2-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]amino]benzoate
CID 109034767
1-(2,3-dihydroindol-1-yl)-3-(4-ethylanilino)propan-1-one
CID 109034726
1-(2,3-dihydroindol-1-yl)-3-(2-ethyl-6-methylanilino)propan-1-one
CID 109034727
1-(2,3-dihydroindol-1-yl)-3-(2,3-dimethylanilino)propan-1-one
CID 109034724
1-(2,3-dihydroindol-1-yl)-3-(2,4-dimethylanilino)propan-1-one
CID 109034719
1-tert-butyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]urea
CID 46383527
3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 64686330
1-(2,3-dihydroindol-1-yl)-3-(3-fluoroanilino)propan-1-one
CID 109034782

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The IUPAC name of (2R)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide (CID 90682463) is (2R)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide is CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N1CCc2ccccc21.
What is the InChIKey of (2R)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
The InChIKey is ZSYFTVYJKNSZGZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-17(2,11-20)15(22)16(23)18-9-7-14(21)19-10-8-12-5-3-4-6-13(12)19/h3-6,15,20,22H,7-11H2,1-2H3,(H,18,23)/t15-/m0/s1.
What are the key properties of (2R)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide?
(2R)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide has a molecular weight of 320.39 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide is sourced from PubChem (CID 90682463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).