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

C22H30N4O2 — CID 142174165

IUPACpropyl N-[3-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-ethylamino]propyl]carbamate
SMILESCCCOC(=O)NCCCN(CC)CC1CC1c1c[nH]c2ccc(C#N)cc12
InChIInChI=1S/C22H30N4O2/c1-3-10-28-22(27)24-8-5-9-26(4-2)15-17-12-18(17)20-14-25-21-7-6-16(13-23)11-19(20)21/h6-7,11,14,17-18,25H,3-5,8-10,12,15H2,1-2H3,(H,24,27)
InChIKeyBIHATRSADAUGRY-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.99
Rot. Bonds10

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

propyl N-[3-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-ethylamino]propyl]carbamate (PubChem CID 142174165) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is propyl N-[3-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-ethylamino]propyl]carbamate.

Molecular Properties

Compound Namepropyl N-[3-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-ethylamino]propyl]carbamate
PubChem CID142174165
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Namepropyl N-[3-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-ethylamino]propyl]carbamate
SMILESCCCOC(=O)NCCCN(CC)CC1CC1c1c[nH]c2ccc(C#N)cc12
InChIInChI=1S/C22H30N4O2/c1-3-10-28-22(27)24-8-5-9-26(4-2)15-17-12-18(17)20-14-25-21-7-6-16(13-23)11-19(20)21/h6-7,11,14,17-18,25H,3-5,8-10,12,15H2,1-2H3,(H,24,27)
InChIKeyBIHATRSADAUGRY-UHFFFAOYSA-N
XLogP3.99
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propyl N-[2-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-methylamino]ethyl]carbamate
CID 142174176
methyl N-[3-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]propyl]carbamate
CID 23519023
ethyl N-[2-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]ethyl]carbamate;methane
CID 159108814
1-[[(1R,2R)-2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl]-1-ethyl-3-[2-(ethylamino)ethyl]urea
CID 91128733
1-[[(1R,2R)-2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl]-1-ethyl-3-[2-(methylamino)propyl]urea
CID 91305447
3-[(1S,2S)-2-(diethylaminomethyl)cyclopentyl]-1H-indole-5-carbonitrile
CID 10447238
3-[2-[3-(ethylamino)propyl]cyclopropyl]-1H-indole-5-carbonitrile
CID 22638830
ethyl N-[2-[[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]methyl-methylamino]ethyl]carbamate;methane
CID 158058751
propan-2-yl N-[3-[[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]methyl-methylamino]propyl]carbamate
CID 23519015
3-[2-[[2-(1H-indol-3-yl)ethylamino]methyl]cyclopropyl]-1H-indole-5-carbonitrile
CID 10155105
3-[2-[[benzyl(methyl)amino]methyl]cyclopropyl]-1H-indole-6-carbonitrile
CID 22638776
N,N-diethyl-3-[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]propan-1-amine
CID 23519079

Frequently Asked Questions

What is the IUPAC name of propyl N-[3-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-ethylamino]propyl]carbamate?
The IUPAC name of propyl N-[3-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-ethylamino]propyl]carbamate (CID 142174165) is propyl N-[3-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-ethylamino]propyl]carbamate.
What is the SMILES notation for propyl N-[3-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-ethylamino]propyl]carbamate?
The canonical SMILES for propyl N-[3-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-ethylamino]propyl]carbamate is CCCOC(=O)NCCCN(CC)CC1CC1c1c[nH]c2ccc(C#N)cc12.
What is the InChIKey of propyl N-[3-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-ethylamino]propyl]carbamate?
The InChIKey is BIHATRSADAUGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-3-10-28-22(27)24-8-5-9-26(4-2)15-17-12-18(17)20-14-25-21-7-6-16(13-23)11-19(20)21/h6-7,11,14,17-18,25H,3-5,8-10,12,15H2,1-2H3,(H,24,27).
What are the key properties of propyl N-[3-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-ethylamino]propyl]carbamate?
propyl N-[3-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-ethylamino]propyl]carbamate has a molecular weight of 382.51 g/mol, XLogP of 3.99, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[3-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-ethylamino]propyl]carbamate is sourced from PubChem (CID 142174165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).