1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea

C15H23N3O4 — CID 16645776

IUPAC1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
SMILESCOc1cc(NC(=O)NCCN2CCOCC2)cc(OC)c1
InChIInChI=1S/C15H23N3O4/c1-20-13-9-12(10-14(11-13)21-2)17-15(19)16-3-4-18-5-7-22-8-6-18/h9-11H,3-8H2,1-2H3,(H2,16,17,19)
InChIKeyPLCNGKQGGGNOIG-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.16
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea

1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea (PubChem CID 16645776) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
PubChem CID16645776
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
SMILESCOc1cc(NC(=O)NCCN2CCOCC2)cc(OC)c1
InChIInChI=1S/C15H23N3O4/c1-20-13-9-12(10-14(11-13)21-2)17-15(19)16-3-4-18-5-7-22-8-6-18/h9-11H,3-8H2,1-2H3,(H2,16,17,19)
InChIKeyPLCNGKQGGGNOIG-UHFFFAOYSA-N
XLogP1.16
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-difluoro-4-methoxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 60543377
1-[6-(3-methoxyphenoxy)-3-pyridinyl]-3-(2-morpholin-4-ylethyl)urea
CID 72887930
5-[(3,5-dimethoxyphenyl)carbamoylamino]-2-(dimethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4265313
1-(3,5-dichloro-4-hydroxyphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 22932427
1-[5-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxyphenyl]-3-(2-morpholin-4-ylethyl)urea
CID 69173856
3-amino-5-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 81090153
3,5-dimethoxy-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]benzamide
CID 110285157
(E)-3-(3,5-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 36842232
1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 3579443
4-methoxy-N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 23875507
1-(3-morpholin-4-ylpropyl)-3-(3,4,5-triethoxyphenyl)urea
CID 108869740
1-(3,5-dimethoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 55696410

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea (CID 16645776) is 1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea is COc1cc(NC(=O)NCCN2CCOCC2)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is PLCNGKQGGGNOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-20-13-9-12(10-14(11-13)21-2)17-15(19)16-3-4-18-5-7-22-8-6-18/h9-11H,3-8H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea?
1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 309.37 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 16645776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).