1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea

C16H25N3O3 — CID 110408119

IUPAC1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea
SMILESCOc1ccccc1CCNC(=O)NCCN1CCOCC1
InChIInChI=1S/C16H25N3O3/c1-21-15-5-3-2-4-14(15)6-7-17-16(20)18-8-9-19-10-12-22-13-11-19/h2-5H,6-13H2,1H3,(H2,17,18,20)
InChIKeyXHDZJQZZVGPDMS-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.87
Rot. Bonds7

About 1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea

1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea (PubChem CID 110408119) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea
PubChem CID110408119
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea
SMILESCOc1ccccc1CCNC(=O)NCCN1CCOCC1
InChIInChI=1S/C16H25N3O3/c1-21-15-5-3-2-4-14(15)6-7-17-16(20)18-8-9-19-10-12-22-13-11-19/h2-5H,6-13H2,1H3,(H2,17,18,20)
InChIKeyXHDZJQZZVGPDMS-UHFFFAOYSA-N
XLogP0.87
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[2-(2-methoxyphenyl)ethyl]-1-N'-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973605
1-[2-(2-methoxyphenyl)ethyl]-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48567496
1-[2-(2-methoxyphenyl)ethyl]-3-(oxan-4-ylmethyl)urea
CID 108913018
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(2-morpholin-4-ylethyl)acetamide
CID 113164494
2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 806992
N-[(2-methoxyphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994758
5-[2-(2-methoxyphenyl)ethylamino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109229476
1-(2-morpholin-4-ylethyl)-3-[2-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 113217074
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 110972505
N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902502
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111777038
2-(2-methoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 108994975

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea (CID 110408119) is 1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea is COc1ccccc1CCNC(=O)NCCN1CCOCC1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is XHDZJQZZVGPDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-21-15-5-3-2-4-14(15)6-7-17-16(20)18-8-9-19-10-12-22-13-11-19/h2-5H,6-13H2,1H3,(H2,17,18,20).
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea?
1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 307.39 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 110408119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).