tert-butyl N-[2-[(7-hydroxy-1H-indole-3-carbonyl)amino]ethyl]carbamate

C16H21N3O4 — CID 135140889

IUPACtert-butyl N-[2-[(7-hydroxy-1H-indole-3-carbonyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1c[nH]c2c(O)cccc12
InChIInChI=1S/C16H21N3O4/c1-16(2,3)23-15(22)18-8-7-17-14(21)11-9-19-13-10(11)5-4-6-12(13)20/h4-6,9,19-20H,7-8H2,1-3H3,(H,17,21)(H,18,22)
InChIKeyOYLJAYGZLJOYMU-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.13
Rot. Bonds4

About tert-butyl N-[2-[(7-hydroxy-1H-indole-3-carbonyl)amino]ethyl]carbamate

tert-butyl N-[2-[(7-hydroxy-1H-indole-3-carbonyl)amino]ethyl]carbamate (PubChem CID 135140889) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is tert-butyl N-[2-[(7-hydroxy-1H-indole-3-carbonyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(7-hydroxy-1H-indole-3-carbonyl)amino]ethyl]carbamate
PubChem CID135140889
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Nametert-butyl N-[2-[(7-hydroxy-1H-indole-3-carbonyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1c[nH]c2c(O)cccc12
InChIInChI=1S/C16H21N3O4/c1-16(2,3)23-15(22)18-8-7-17-14(21)11-9-19-13-10(11)5-4-6-12(13)20/h4-6,9,19-20H,7-8H2,1-3H3,(H,17,21)(H,18,22)
InChIKeyOYLJAYGZLJOYMU-UHFFFAOYSA-N
XLogP2.13
TPSA103.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 47456092
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 8947395
tert-butyl N-[3-[(3-amino-2-methoxybenzoyl)amino]propyl]carbamate
CID 104932608
tert-butyl N-[2-[[2-(2-hydroxyphenyl)acetyl]amino]ethyl]carbamate
CID 52859596
tert-butyl N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]carbamate
CID 107711346
tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate
CID 71248417
tert-butyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 47453309
tert-butyl N-[2-[(1-chloro-4-hydroxyisoquinoline-3-carbonyl)amino]ethyl]carbamate
CID 86595472
tert-butyl N-[4-[(2-sulfanylbenzoyl)amino]butyl]carbamate
CID 170912768
tert-butyl N-[4-(2,6-dihydroxyphenyl)but-3-enyl]carbamate
CID 170490025
tert-butyl N-[3-[2-[(2-bromobenzoyl)amino]ethylamino]-3-oxopropyl]carbamate
CID 108537195
tert-butyl N-[2-[(4-amino-3-hydroxybenzoyl)amino]ethyl]carbamate
CID 102739374

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(7-hydroxy-1H-indole-3-carbonyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(7-hydroxy-1H-indole-3-carbonyl)amino]ethyl]carbamate (CID 135140889) is tert-butyl N-[2-[(7-hydroxy-1H-indole-3-carbonyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(7-hydroxy-1H-indole-3-carbonyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(7-hydroxy-1H-indole-3-carbonyl)amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNC(=O)c1c[nH]c2c(O)cccc12.
What is the InChIKey of tert-butyl N-[2-[(7-hydroxy-1H-indole-3-carbonyl)amino]ethyl]carbamate?
The InChIKey is OYLJAYGZLJOYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-16(2,3)23-15(22)18-8-7-17-14(21)11-9-19-13-10(11)5-4-6-12(13)20/h4-6,9,19-20H,7-8H2,1-3H3,(H,17,21)(H,18,22).
What are the key properties of tert-butyl N-[2-[(7-hydroxy-1H-indole-3-carbonyl)amino]ethyl]carbamate?
tert-butyl N-[2-[(7-hydroxy-1H-indole-3-carbonyl)amino]ethyl]carbamate has a molecular weight of 319.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(7-hydroxy-1H-indole-3-carbonyl)amino]ethyl]carbamate is sourced from PubChem (CID 135140889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).