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

C20H30FN3O2 — CID 159108814

IUPACethyl N-[2-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]ethyl]carbamate;methane
SMILESC.CCOC(=O)NCCN(CC)CC1CC1c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C19H26FN3O2.CH4/c1-3-23(8-7-21-19(24)25-4-2)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);1H4
InChIKeyKEFLSGMVUXGMFU-UHFFFAOYSA-N
MW363.48 g/mol
LogP4.11
Rot. Bonds8

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

ethyl N-[2-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]ethyl]carbamate;methane (PubChem CID 159108814) has the molecular formula C20H30FN3O2 and a molecular weight of 363.48 g/mol. Its IUPAC name is ethyl N-[2-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]ethyl]carbamate;methane.

Molecular Properties

Compound Nameethyl N-[2-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]ethyl]carbamate;methane
PubChem CID159108814
Molecular FormulaC20H30FN3O2
Molecular Weight363.48 g/mol
Exact Mass363.23
IUPAC Nameethyl N-[2-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]ethyl]carbamate;methane
SMILESC.CCOC(=O)NCCN(CC)CC1CC1c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C19H26FN3O2.CH4/c1-3-23(8-7-21-19(24)25-4-2)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);1H4
InChIKeyKEFLSGMVUXGMFU-UHFFFAOYSA-N
XLogP4.11
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl N-[2-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]ethyl]carbamate;methane with MolForge

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Related Compounds

methyl N-[3-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]propyl]carbamate
CID 23519023
ethyl N-[2-[[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]methyl-methylamino]ethyl]carbamate;methane
CID 158058751
propyl N-[3-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-ethylamino]propyl]carbamate
CID 142174165
3-[2-(ethylamino)ethyl]-1-[[(1R,2R)-2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-1-propylurea
CID 91432534
1-ethyl-3-[2-(ethylamino)propyl]-1-[[(1R,2R)-2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]urea
CID 90754823
propyl N-[2-[[2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl-methylamino]ethyl]carbamate
CID 142174176
N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-methylbutan-1-amine
CID 22638713
1-[[(1R,2R)-2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl]-1-ethyl-3-[2-(ethylamino)ethyl]urea
CID 91128733
propan-2-yl N-[3-[[2-(5-isocyano-1H-indol-3-yl)cyclopropyl]methyl-methylamino]propyl]carbamate
CID 23519015
N-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 23519034
1-[[(1R,2R)-2-(5-cyano-1H-indol-3-yl)cyclopropyl]methyl]-1-ethyl-3-[2-(methylamino)propyl]urea
CID 91305447
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]ethyl]carbamate;methane?
The IUPAC name of ethyl N-[2-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]ethyl]carbamate;methane (CID 159108814) is ethyl N-[2-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]ethyl]carbamate;methane.
What is the SMILES notation for ethyl N-[2-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]ethyl]carbamate;methane?
The canonical SMILES for ethyl N-[2-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]ethyl]carbamate;methane is C.CCOC(=O)NCCN(CC)CC1CC1c1c[nH]c2ccc(F)cc12.
What is the InChIKey of ethyl N-[2-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]ethyl]carbamate;methane?
The InChIKey is KEFLSGMVUXGMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2.CH4/c1-3-23(8-7-21-19(24)25-4-2)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);1H4.
What are the key properties of ethyl N-[2-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]ethyl]carbamate;methane?
ethyl N-[2-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]ethyl]carbamate;methane has a molecular weight of 363.48 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[ethyl-[[2-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]amino]ethyl]carbamate;methane is sourced from PubChem (CID 159108814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).