1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea

C14H27N3O2 — CID 47163906

IUPAC1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea
SMILESO=C(NCCN1CCOCC1)NC1CCCCCC1
InChIInChI=1S/C14H27N3O2/c18-14(16-13-5-3-1-2-4-6-13)15-7-8-17-9-11-19-12-10-17/h13H,1-12H2,(H2,15,16,18)
InChIKeyYKRDMRDASYIDKJ-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.34
Rot. Bonds4

About 1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea

1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea (PubChem CID 47163906) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea
PubChem CID47163906
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea
SMILESO=C(NCCN1CCOCC1)NC1CCCCCC1
InChIInChI=1S/C14H27N3O2/c18-14(16-13-5-3-1-2-4-6-13)15-7-8-17-9-11-19-12-10-17/h13H,1-12H2,(H2,15,16,18)
InChIKeyYKRDMRDASYIDKJ-UHFFFAOYSA-N
XLogP1.34
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cycloheptyl-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944023
4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide
CID 109147192
1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea
CID 115617971
1-N'-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973625
1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea
CID 4056008
1-cyclopentyl-3-[2-(3-oxomorpholin-4-yl)ethyl]urea
CID 110748156
1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea
CID 110446919
N-cyclopentyl-3-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111079328
1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea
CID 47277900
(2S)-2-amino-2-cyclohexyl-N-(2-morpholin-4-ylethyl)acetamide
CID 83340454
1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 17456252
5-N-cyclopentyl-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109102673

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea (CID 47163906) is 1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea is O=C(NCCN1CCOCC1)NC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is YKRDMRDASYIDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c18-14(16-13-5-3-1-2-4-6-13)15-7-8-17-9-11-19-12-10-17/h13H,1-12H2,(H2,15,16,18).
What are the key properties of 1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea?
1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 269.39 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 47163906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).