tert-butyl N-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)carbamate

C17H23N3O2 — CID 107236657

IUPACtert-butyl N-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)carbamate
SMILESCC(C)(C)OC(=O)NNC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C17H23N3O2/c1-17(2,3)22-16(21)20-19-14-10-6-8-12-11-7-4-5-9-13(11)18-15(12)14/h4-5,7,9,14,18-19H,6,8,10H2,1-3H3,(H,20,21)
InChIKeyXGDDVSJIUWDXBT-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.57
Rot. Bonds2

About tert-butyl N-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)carbamate

tert-butyl N-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)carbamate (PubChem CID 107236657) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is tert-butyl N-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)carbamate
PubChem CID107236657
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Nametert-butyl N-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)carbamate
SMILESCC(C)(C)OC(=O)NNC1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C17H23N3O2/c1-17(2,3)22-16(21)20-19-14-10-6-8-12-11-7-4-5-9-13(11)18-15(12)14/h4-5,7,9,14,18-19H,6,8,10H2,1-3H3,(H,20,21)
InChIKeyXGDDVSJIUWDXBT-UHFFFAOYSA-N
XLogP3.57
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)acetate
CID 65333695
2-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 124604925
N-(2,2-dimethylpropyl)-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65334003
N-[(1S)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]cyclopropanecarboxamide
CID 124879022
2-methyl-3-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)propane-1,2-diol
CID 66168801
N-cyclopentyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 65333592
tert-butyl N-[(1S,12bR)-4-oxo-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-1-yl]carbamate
CID 101025876
N-propyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 11219296
5-methoxy-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1H-indole-2-carboxamide
CID 125432343
2-(3,4-dimethoxyphenyl)-N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]acetamide
CID 97496764
N-[(2-methylcyclopentyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 107416848
N-[(1R)-2,3,4,9-tetrahydro-1H-carbazol-1-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 97496950

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)carbamate?
The IUPAC name of tert-butyl N-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)carbamate (CID 107236657) is tert-butyl N-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)carbamate.
What is the SMILES notation for tert-butyl N-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)carbamate?
The canonical SMILES for tert-butyl N-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)carbamate is CC(C)(C)OC(=O)NNC1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of tert-butyl N-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)carbamate?
The InChIKey is XGDDVSJIUWDXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(2,3)22-16(21)20-19-14-10-6-8-12-11-7-4-5-9-13(11)18-15(12)14/h4-5,7,9,14,18-19H,6,8,10H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)carbamate?
tert-butyl N-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)carbamate has a molecular weight of 301.39 g/mol, XLogP of 3.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,3,4,9-tetrahydro-1H-carbazol-1-ylamino)carbamate is sourced from PubChem (CID 107236657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).