methyl N-[3-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]propyl]carbamate

C19H26FN3O2 — CID 23519023

IUPACmethyl N-[3-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]propyl]carbamate
SMILESCCN(CCCNC(=O)OC)CC1CC1c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C19H26FN3O2/c1-3-23(8-4-7-21-19(24)25-2)12-13-9-15(13)17-11-22-18-6-5-14(20)10-16(17)18/h5-6,10-11,13,15,22H,3-4,7-9,12H2,1-2H3,(H,21,24)
InChIKeyAKTZGQHNZMUJET-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.48
Rot. Bonds8

About methyl N-[3-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]propyl]carbamate

methyl N-[3-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]propyl]carbamate (PubChem CID 23519023) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is methyl N-[3-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]propyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]propyl]carbamate
PubChem CID23519023
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Namemethyl N-[3-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]propyl]carbamate
SMILESCCN(CCCNC(=O)OC)CC1CC1c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C19H26FN3O2/c1-3-23(8-4-7-21-19(24)25-2)12-13-9-15(13)17-11-22-18-6-5-14(20)10-16(17)18/h5-6,10-11,13,15,22H,3-4,7-9,12H2,1-2H3,(H,21,24)
InChIKeyAKTZGQHNZMUJET-UHFFFAOYSA-N
XLogP3.48
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.48
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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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]propyl]carbamate?
The IUPAC name of methyl N-[3-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]propyl]carbamate (CID 23519023) is methyl N-[3-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]propyl]carbamate.
What is the SMILES notation for methyl N-[3-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]propyl]carbamate?
The canonical SMILES for methyl N-[3-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]propyl]carbamate is CCN(CCCNC(=O)OC)CC1CC1c1c[nH]c2ccc(F)cc12.
What is the InChIKey of methyl N-[3-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]propyl]carbamate?
The InChIKey is AKTZGQHNZMUJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-3-23(8-4-7-21-19(24)25-2)12-13-9-15(13)17-11-22-18-6-5-14(20)10-16(17)18/h5-6,10-11,13,15,22H,3-4,7-9,12H2,1-2H3,(H,21,24).
What are the key properties of methyl N-[3-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]propyl]carbamate?
methyl N-[3-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]propyl]carbamate has a molecular weight of 347.43 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]propyl]carbamate is sourced from PubChem (CID 23519023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).