1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]urea

C21H32N4O2 — CID 38309492

IUPAC1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]urea
SMILESCCC(CC)[C@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)N1CCOCC1
InChIInChI=1S/C21H32N4O2/c1-4-18(5-2)20(25-10-12-27-13-11-25)15-23-21(26)24-16(3)19-8-6-17(14-22)7-9-19/h6-9,16,18,20H,4-5,10-13,15H2,1-3H3,(H2,23,24,26)/t16-,20+/m1/s1
InChIKeyIEZSCZZDGGSWJN-UZLBHIALSA-N
MW372.51 g/mol
LogP3.06
Rot. Bonds8

About 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]urea

1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]urea (PubChem CID 38309492) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]urea
PubChem CID38309492
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]urea
SMILESCCC(CC)[C@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)N1CCOCC1
InChIInChI=1S/C21H32N4O2/c1-4-18(5-2)20(25-10-12-27-13-11-25)15-23-21(26)24-16(3)19-8-6-17(14-22)7-9-19/h6-9,16,18,20H,4-5,10-13,15H2,1-3H3,(H2,23,24,26)/t16-,20+/m1/s1
InChIKeyIEZSCZZDGGSWJN-UZLBHIALSA-N
XLogP3.06
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]urea with MolForge

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Related Compounds

2-(4-cyanophenoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide
CID 134053073
1-[2-(azepan-1-yl)-3-methylbutyl]-3-[1-(4-cyanophenyl)ethyl]urea
CID 55793464
1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea
CID 46493943
2-[(4-cyanophenyl)methyl]-1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)guanidine;hydroiodide
CID 111936866
1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea
CID 51934988
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea
CID 94023184
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-fluorophenyl)urea
CID 24664998
1-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-3-(3-methylphenyl)urea
CID 30749452
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(2-methoxyphenyl)urea
CID 24665000
1-[(5-bromothiophene-2-carbonyl)amino]-3-(3-ethyl-2-morpholin-4-ylpentyl)urea
CID 78887218
2-chloro-N-(3-ethyl-2-morpholin-4-ylpentyl)benzamide
CID 75689586
1-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2S)-2-morpholin-4-ylpropyl]urea
CID 94028425

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]urea?
The IUPAC name of 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]urea (CID 38309492) is 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]urea.
What is the SMILES notation for 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]urea?
The canonical SMILES for 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]urea is CCC(CC)[C@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)N1CCOCC1.
What is the InChIKey of 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]urea?
The InChIKey is IEZSCZZDGGSWJN-UZLBHIALSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-4-18(5-2)20(25-10-12-27-13-11-25)15-23-21(26)24-16(3)19-8-6-17(14-22)7-9-19/h6-9,16,18,20H,4-5,10-13,15H2,1-3H3,(H2,23,24,26)/t16-,20+/m1/s1.
What are the key properties of 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]urea?
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]urea has a molecular weight of 372.51 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]urea is sourced from PubChem (CID 38309492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).