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

C20H26N4O2 — CID 142174176

IUPACpropyl N-[2-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-methylamino]ethyl]carbamate
SMILESCCCOC(=O)NCCN(C)CC1CC1c1c[nH]c2ccc(C#N)cc12
InChIInChI=1S/C20H26N4O2/c1-3-8-26-20(25)22-6-7-24(2)13-15-10-16(15)18-12-23-19-5-4-14(11-21)9-17(18)19/h4-5,9,12,15-16,23H,3,6-8,10,13H2,1-2H3,(H,22,25)
InChIKeyKSUCLVCWWSNLHT-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.21
Rot. Bonds8

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

propyl N-[2-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-methylamino]ethyl]carbamate (PubChem CID 142174176) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is propyl N-[2-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-methylamino]ethyl]carbamate.

Molecular Properties

Compound Namepropyl N-[2-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-methylamino]ethyl]carbamate
PubChem CID142174176
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Namepropyl N-[2-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-methylamino]ethyl]carbamate
SMILESCCCOC(=O)NCCN(C)CC1CC1c1c[nH]c2ccc(C#N)cc12
InChIInChI=1S/C20H26N4O2/c1-3-8-26-20(25)22-6-7-24(2)13-15-10-16(15)18-12-23-19-5-4-14(11-21)9-17(18)19/h4-5,9,12,15-16,23H,3,6-8,10,13H2,1-2H3,(H,22,25)
InChIKeyKSUCLVCWWSNLHT-UHFFFAOYSA-N
XLogP3.21
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl N-[2-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-methylamino]ethyl]carbamate?
The IUPAC name of propyl N-[2-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-methylamino]ethyl]carbamate (CID 142174176) is propyl N-[2-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-methylamino]ethyl]carbamate.
What is the SMILES notation for propyl N-[2-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-methylamino]ethyl]carbamate?
The canonical SMILES for propyl N-[2-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-methylamino]ethyl]carbamate is CCCOC(=O)NCCN(C)CC1CC1c1c[nH]c2ccc(C#N)cc12.
What is the InChIKey of propyl N-[2-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-methylamino]ethyl]carbamate?
The InChIKey is KSUCLVCWWSNLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-8-26-20(25)22-6-7-24(2)13-15-10-16(15)18-12-23-19-5-4-14(11-21)9-17(18)19/h4-5,9,12,15-16,23H,3,6-8,10,13H2,1-2H3,(H,22,25).
What are the key properties of propyl N-[2-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-methylamino]ethyl]carbamate?
propyl N-[2-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-methylamino]ethyl]carbamate has a molecular weight of 354.45 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[2-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-methylamino]ethyl]carbamate is sourced from PubChem (CID 142174176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).