tert-butyl N-[(2S)-3-[[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]amino]-2-hydroxypropyl]carbamate

C19H28FN3O4 — CID 69316629

IUPACtert-butyl N-[(2S)-3-[[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]amino]-2-hydroxypropyl]carbamate
SMILESCC(CF)N1C(=O)Cc2cc(NC[C@H](O)CNC(=O)OC(C)(C)C)ccc21
InChIInChI=1S/C19H28FN3O4/c1-12(9-20)23-16-6-5-14(7-13(16)8-17(23)25)21-10-15(24)11-22-18(26)27-19(2,3)4/h5-7,12,15,21,24H,8-11H2,1-4H3,(H,22,26)/t12?,15-/m0/s1
InChIKeyHJBPAGYHERGBPK-CVRLYYSRSA-N
MW381.45 g/mol
LogP2.23
Rot. Bonds7

About tert-butyl N-[(2S)-3-[[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]amino]-2-hydroxypropyl]carbamate

tert-butyl N-[(2S)-3-[[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]amino]-2-hydroxypropyl]carbamate (PubChem CID 69316629) has the molecular formula C19H28FN3O4 and a molecular weight of 381.45 g/mol. Its IUPAC name is tert-butyl N-[(2S)-3-[[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]amino]-2-hydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-3-[[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]amino]-2-hydroxypropyl]carbamate
PubChem CID69316629
Molecular FormulaC19H28FN3O4
Molecular Weight381.45 g/mol
Exact Mass381.21
IUPAC Nametert-butyl N-[(2S)-3-[[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]amino]-2-hydroxypropyl]carbamate
SMILESCC(CF)N1C(=O)Cc2cc(NC[C@H](O)CNC(=O)OC(C)(C)C)ccc21
InChIInChI=1S/C19H28FN3O4/c1-12(9-20)23-16-6-5-14(7-13(16)8-17(23)25)21-10-15(24)11-22-18(26)27-19(2,3)4/h5-7,12,15,21,24H,8-11H2,1-4H3,(H,22,26)/t12?,15-/m0/s1
InChIKeyHJBPAGYHERGBPK-CVRLYYSRSA-N
XLogP2.23
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2S)-3-[[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]amino]-2-hydroxypropyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[3-[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 69316731
tert-butyl N-[3-(4-cyanoanilino)-2-hydroxypropyl]carbamate
CID 67540537
2-(2,5-dioxopyrrolidin-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 169324201
tert-butyl N-[3-(tert-butylamino)-2-hydroxypropyl]carbamate
CID 84705743
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
1-(cyclopropylmethyl)-5-[[(2R)-2-hydroxypropyl]amino]-3H-indol-2-one
CID 91244258
N-[(2R)-2-hydroxy-3-[(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)amino]propyl]acetamide
CID 15538712
tert-butyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3H-indole-1-carboxylate
CID 153489870
tert-butyl N-[[3-(2-hydroxypropylamino)phenyl]methyl]carbamate
CID 82539760
tert-butyl N-[2-(3-bromo-4-methylanilino)propyl]carbamate
CID 103389943
tert-butyl N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]carbamate
CID 103821832
tert-butyl N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 10241638

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-3-[[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]amino]-2-hydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-3-[[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]amino]-2-hydroxypropyl]carbamate (CID 69316629) is tert-butyl N-[(2S)-3-[[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]amino]-2-hydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-3-[[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]amino]-2-hydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-3-[[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]amino]-2-hydroxypropyl]carbamate is CC(CF)N1C(=O)Cc2cc(NC[C@H](O)CNC(=O)OC(C)(C)C)ccc21.
What is the InChIKey of tert-butyl N-[(2S)-3-[[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]amino]-2-hydroxypropyl]carbamate?
The InChIKey is HJBPAGYHERGBPK-CVRLYYSRSA-N. The full InChI is InChI=1S/C19H28FN3O4/c1-12(9-20)23-16-6-5-14(7-13(16)8-17(23)25)21-10-15(24)11-22-18(26)27-19(2,3)4/h5-7,12,15,21,24H,8-11H2,1-4H3,(H,22,26)/t12?,15-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-3-[[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]amino]-2-hydroxypropyl]carbamate?
tert-butyl N-[(2S)-3-[[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]amino]-2-hydroxypropyl]carbamate has a molecular weight of 381.45 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-3-[[1-(1-fluoropropan-2-yl)-2-oxo-3H-indol-5-yl]amino]-2-hydroxypropyl]carbamate is sourced from PubChem (CID 69316629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).