1-[2-(1H-indol-3-yl)ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea

C21H30N4O3 — CID 55590372

IUPAC1-[2-(1H-indol-3-yl)ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
SMILESO=C(NCCc1c[nH]c2ccccc12)NCC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C21H30N4O3/c26-21(22-7-5-16-13-23-19-4-2-1-3-18(16)19)24-14-20(17-6-10-28-15-17)25-8-11-27-12-9-25/h1-4,13,17,20,23H,5-12,14-15H2,(H2,22,24,26)
InChIKeySEEOAXTVVJNSCW-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.75
Rot. Bonds7

About 1-[2-(1H-indol-3-yl)ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea

1-[2-(1H-indol-3-yl)ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea (PubChem CID 55590372) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
PubChem CID55590372
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name1-[2-(1H-indol-3-yl)ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
SMILESO=C(NCCc1c[nH]c2ccccc12)NCC(C1CCOC1)N1CCOCC1
InChIInChI=1S/C21H30N4O3/c26-21(22-7-5-16-13-23-19-4-2-1-3-18(16)19)24-14-20(17-6-10-28-15-17)25-8-11-27-12-9-25/h1-4,13,17,20,23H,5-12,14-15H2,(H2,22,24,26)
InChIKeySEEOAXTVVJNSCW-UHFFFAOYSA-N
XLogP1.75
TPSA78.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1H-indol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108988276
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-[2-(2-nitroanilino)ethyl]urea
CID 55590017
1-(2-chlorophenyl)-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea
CID 55696727
2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide
CID 94150138
N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide
CID 110853395
N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-nitro-1H-indole-3-carboxamide
CID 47090989
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine
CID 110997333
N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105921
N'-[2-(1H-indol-3-yl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902823
1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-(4-methyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 110997332
N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 27567907

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea (CID 55590372) is 1-[2-(1H-indol-3-yl)ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea is O=C(NCCc1c[nH]c2ccccc12)NCC(C1CCOC1)N1CCOCC1.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea?
The InChIKey is SEEOAXTVVJNSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c26-21(22-7-5-16-13-23-19-4-2-1-3-18(16)19)24-14-20(17-6-10-28-15-17)25-8-11-27-12-9-25/h1-4,13,17,20,23H,5-12,14-15H2,(H2,22,24,26).
What are the key properties of 1-[2-(1H-indol-3-yl)ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea?
1-[2-(1H-indol-3-yl)ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea has a molecular weight of 386.50 g/mol, XLogP of 1.75, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)ethyl]-3-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]urea is sourced from PubChem (CID 55590372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).