1-(2-morpholin-4-ylethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea

C18H29N3O5 — CID 113217074

IUPAC1-(2-morpholin-4-ylethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
SMILESCOc1cc(CCNC(=O)NCCN2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C18H29N3O5/c1-23-15-12-14(13-16(24-2)17(15)25-3)4-5-19-18(22)20-6-7-21-8-10-26-11-9-21/h12-13H,4-11H2,1-3H3,(H2,19,20,22)
InChIKeyZMPARLLZZWBJNG-UHFFFAOYSA-N
MW367.45 g/mol
LogP0.89
Rot. Bonds9

About 1-(2-morpholin-4-ylethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea

1-(2-morpholin-4-ylethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea (PubChem CID 113217074) has the molecular formula C18H29N3O5 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
PubChem CID113217074
Molecular FormulaC18H29N3O5
Molecular Weight367.45 g/mol
Exact Mass367.21
IUPAC Name1-(2-morpholin-4-ylethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
SMILESCOc1cc(CCNC(=O)NCCN2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C18H29N3O5/c1-23-15-12-14(13-16(24-2)17(15)25-3)4-5-19-18(22)20-6-7-21-8-10-26-11-9-21/h12-13H,4-11H2,1-3H3,(H2,19,20,22)
InChIKeyZMPARLLZZWBJNG-UHFFFAOYSA-N
XLogP0.89
TPSA81.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 110408119
N,N-dimethyl-2-[[N-(2-morpholin-4-ylethyl)-N'-[(3,4,5-trimethoxyphenyl)methyl]carbamimidoyl]amino]acetamide
CID 111777522
1-(3,5-difluoro-4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 60543377
1-(2-morpholin-4-ylethyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974407
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 113217434
1-[2-(4-fluorophenyl)ethyl]-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217101
1-[2-(3,5-dichlorophenyl)ethyl]-3-(3-morpholin-4-ylpropyl)urea
CID 60593286
1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 16645776
N-[2-(3,4,5-trimethoxyphenyl)ethyl]carbamoyl bromide
CID 115193996
1-(3-phenylpropyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217114
1-(2-morpholin-4-ylethyl)-3-propylurea
CID 4583080
2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 806992

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea (CID 113217074) is 1-(2-morpholin-4-ylethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea is COc1cc(CCNC(=O)NCCN2CCOCC2)cc(OC)c1OC.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea?
The InChIKey is ZMPARLLZZWBJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O5/c1-23-15-12-14(13-16(24-2)17(15)25-3)4-5-19-18(22)20-6-7-21-8-10-26-11-9-21/h12-13H,4-11H2,1-3H3,(H2,19,20,22).
What are the key properties of 1-(2-morpholin-4-ylethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea?
1-(2-morpholin-4-ylethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea has a molecular weight of 367.45 g/mol, XLogP of 0.89, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 113217074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).