tert-butyl N-ethyl-N-[2-(1H-indol-5-ylmethylamino)ethyl]carbamate

C18H27N3O2 — CID 107245270

IUPACtert-butyl N-ethyl-N-[2-(1H-indol-5-ylmethylamino)ethyl]carbamate
SMILESCCN(CCNCc1ccc2[nH]ccc2c1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H27N3O2/c1-5-21(17(22)23-18(2,3)4)11-10-19-13-14-6-7-16-15(12-14)8-9-20-16/h6-9,12,19-20H,5,10-11,13H2,1-4H3
InChIKeyNXFRQOCTJDCBIU-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.51
Rot. Bonds6

About tert-butyl N-ethyl-N-[2-(1H-indol-5-ylmethylamino)ethyl]carbamate

tert-butyl N-ethyl-N-[2-(1H-indol-5-ylmethylamino)ethyl]carbamate (PubChem CID 107245270) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[2-(1H-indol-5-ylmethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[2-(1H-indol-5-ylmethylamino)ethyl]carbamate
PubChem CID107245270
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Nametert-butyl N-ethyl-N-[2-(1H-indol-5-ylmethylamino)ethyl]carbamate
SMILESCCN(CCNCc1ccc2[nH]ccc2c1)C(=O)OC(C)(C)C
InChIInChI=1S/C18H27N3O2/c1-5-21(17(22)23-18(2,3)4)11-10-19-13-14-6-7-16-15(12-14)8-9-20-16/h6-9,12,19-20H,5,10-11,13H2,1-4H3
InChIKeyNXFRQOCTJDCBIU-UHFFFAOYSA-N
XLogP3.51
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(1H-indol-6-ylmethylamino)ethyl]-N-methylcarbamate
CID 107244952
tert-butyl N-ethyl-N-[3-[(4-ethylphenyl)methylamino]propyl]carbamate
CID 107242592
tert-butyl N-[2-[(3,4-dibromophenyl)methylamino]ethyl]-N-propylcarbamate
CID 107246041
tert-butyl N-ethyl-N-[2-[(2,4,5-trimethylphenyl)methylamino]ethyl]carbamate
CID 107245427
N-tert-butyl-2-(1H-indol-5-ylmethylamino)acetamide
CID 102911664
tert-butyl N-[2-[(4-bromo-2-chlorophenyl)methylamino]ethyl]-N-ethylcarbamate
CID 107245367
tert-butyl N-[2-[(5-cyano-1-methylpyrrol-3-yl)methylamino]ethyl]-N-ethylcarbamate
CID 103527123
tert-butyl N-benzyl-N-[2-(benzylamino)ethyl]carbamate
CID 70021346
methyl 4-[(1H-indol-5-ylmethylamino)methyl]benzoate
CID 118070071
tert-butyl N-[2-[(3,5-dichlorophenyl)methylamino]ethyl]-N-propylcarbamate
CID 107246246
tert-butyl N-propyl-N-[2-(pyridin-4-ylmethylamino)ethyl]carbamate
CID 103846743
3-(1H-indol-5-ylmethylamino)-N-(2-methoxyethyl)propanamide
CID 102911835

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[2-(1H-indol-5-ylmethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[2-(1H-indol-5-ylmethylamino)ethyl]carbamate (CID 107245270) is tert-butyl N-ethyl-N-[2-(1H-indol-5-ylmethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[2-(1H-indol-5-ylmethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[2-(1H-indol-5-ylmethylamino)ethyl]carbamate is CCN(CCNCc1ccc2[nH]ccc2c1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[2-(1H-indol-5-ylmethylamino)ethyl]carbamate?
The InChIKey is NXFRQOCTJDCBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-5-21(17(22)23-18(2,3)4)11-10-19-13-14-6-7-16-15(12-14)8-9-20-16/h6-9,12,19-20H,5,10-11,13H2,1-4H3.
What are the key properties of tert-butyl N-ethyl-N-[2-(1H-indol-5-ylmethylamino)ethyl]carbamate?
tert-butyl N-ethyl-N-[2-(1H-indol-5-ylmethylamino)ethyl]carbamate has a molecular weight of 317.43 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[2-(1H-indol-5-ylmethylamino)ethyl]carbamate is sourced from PubChem (CID 107245270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).