tert-butyl N-[(2R)-1-[7-[2-(diethylamino)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]carbamate

C22H33N3O4 — CID 12045561

IUPACtert-butyl N-[(2R)-1-[7-[2-(diethylamino)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]carbamate
SMILESCCN(CC)C(=O)COc1cccc2c(C[C@@H](C)NC(=O)OC(C)(C)C)c[nH]c12
InChIInChI=1S/C22H33N3O4/c1-7-25(8-2)19(26)14-28-18-11-9-10-17-16(13-23-20(17)18)12-15(3)24-21(27)29-22(4,5)6/h9-11,13,15,23H,7-8,12,14H2,1-6H3,(H,24,27)/t15-/m1/s1
InChIKeyOXYOJDBBYXDHFA-OAHLLOKOSA-N
MW403.52 g/mol
LogP3.87
Rot. Bonds8

About tert-butyl N-[(2R)-1-[7-[2-(diethylamino)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]carbamate

tert-butyl N-[(2R)-1-[7-[2-(diethylamino)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]carbamate (PubChem CID 12045561) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-[7-[2-(diethylamino)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-[7-[2-(diethylamino)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]carbamate
PubChem CID12045561
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC Nametert-butyl N-[(2R)-1-[7-[2-(diethylamino)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]carbamate
SMILESCCN(CC)C(=O)COc1cccc2c(C[C@@H](C)NC(=O)OC(C)(C)C)c[nH]c12
InChIInChI=1S/C22H33N3O4/c1-7-25(8-2)19(26)14-28-18-11-9-10-17-16(13-23-20(17)18)12-15(3)24-21(27)29-22(4,5)6/h9-11,13,15,23H,7-8,12,14H2,1-6H3,(H,24,27)/t15-/m1/s1
InChIKeyOXYOJDBBYXDHFA-OAHLLOKOSA-N
XLogP3.87
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2R)-1-[7-[2-(diethylamino)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]carbamate
CID 139809915
2-[[3-[(2S)-2-aminopropyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide
CID 139809913
2-[[3-[(2R)-2-[[(2R)-2-(2-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1H-indol-7-yl]oxy]-N,N-diethylacetamide
CID 15605735
N,N-diethyl-2-[[3-[(2R)-2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]-1H-indol-7-yl]oxy]acetamide
CID 69459178
3-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-1H-indole-6-carboxylic acid
CID 174209743
tert-butyl N-[(2R)-1-(6-hydroxy-1H-indol-3-yl)propan-2-yl]carbamate
CID 166473311
3-(7-methyl-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 46737435
1-(7-hydroxy-1H-indol-3-yl)propan-2-ylcarbamic acid
CID 22014780
butanamide;tert-butyl N-[1-(1H-indol-3-yl)propan-2-yl]carbamate;formamide
CID 145005816
3-(7-amino-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 166609288
tert-butyl N-[1-(7-methyl-1H-indol-3-yl)-3-phenylpropan-2-yl]carbamate
CID 175116528
tert-butyl N-[(2S)-1-(5-methoxy-1H-indol-3-yl)propan-2-yl]carbamate
CID 139446493

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-[7-[2-(diethylamino)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-[7-[2-(diethylamino)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]carbamate (CID 12045561) is tert-butyl N-[(2R)-1-[7-[2-(diethylamino)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-[7-[2-(diethylamino)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-[7-[2-(diethylamino)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]carbamate is CCN(CC)C(=O)COc1cccc2c(C[C@@H](C)NC(=O)OC(C)(C)C)c[nH]c12.
What is the InChIKey of tert-butyl N-[(2R)-1-[7-[2-(diethylamino)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]carbamate?
The InChIKey is OXYOJDBBYXDHFA-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-7-25(8-2)19(26)14-28-18-11-9-10-17-16(13-23-20(17)18)12-15(3)24-21(27)29-22(4,5)6/h9-11,13,15,23H,7-8,12,14H2,1-6H3,(H,24,27)/t15-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-[7-[2-(diethylamino)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]carbamate?
tert-butyl N-[(2R)-1-[7-[2-(diethylamino)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]carbamate has a molecular weight of 403.52 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-[7-[2-(diethylamino)-2-oxoethoxy]-1H-indol-3-yl]propan-2-yl]carbamate is sourced from PubChem (CID 12045561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).