1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-[2-(phenoxymethyl)phenyl]urea

C22H29N3O3 — CID 126771061

IUPAC1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-[2-(phenoxymethyl)phenyl]urea
SMILESCC1(C)COCCN1CCNC(=O)Nc1ccccc1COc1ccccc1
InChIInChI=1S/C22H29N3O3/c1-22(2)17-27-15-14-25(22)13-12-23-21(26)24-20-11-7-6-8-18(20)16-28-19-9-4-3-5-10-19/h3-11H,12-17H2,1-2H3,(H2,23,24,26)
InChIKeyHGFIAGBUZBVQSX-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.50
Rot. Bonds7

About 1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-[2-(phenoxymethyl)phenyl]urea

1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-[2-(phenoxymethyl)phenyl]urea (PubChem CID 126771061) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-[2-(phenoxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-[2-(phenoxymethyl)phenyl]urea
PubChem CID126771061
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-[2-(phenoxymethyl)phenyl]urea
SMILESCC1(C)COCCN1CCNC(=O)Nc1ccccc1COc1ccccc1
InChIInChI=1S/C22H29N3O3/c1-22(2)17-27-15-14-25(22)13-12-23-21(26)24-20-11-7-6-8-18(20)16-28-19-9-4-3-5-10-19/h3-11H,12-17H2,1-2H3,(H2,23,24,26)
InChIKeyHGFIAGBUZBVQSX-UHFFFAOYSA-N
XLogP3.50
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-[2-(phenoxymethyl)phenyl]urea?
The IUPAC name of 1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-[2-(phenoxymethyl)phenyl]urea (CID 126771061) is 1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-[2-(phenoxymethyl)phenyl]urea.
What is the SMILES notation for 1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-[2-(phenoxymethyl)phenyl]urea?
The canonical SMILES for 1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-[2-(phenoxymethyl)phenyl]urea is CC1(C)COCCN1CCNC(=O)Nc1ccccc1COc1ccccc1.
What is the InChIKey of 1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-[2-(phenoxymethyl)phenyl]urea?
The InChIKey is HGFIAGBUZBVQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-22(2)17-27-15-14-25(22)13-12-23-21(26)24-20-11-7-6-8-18(20)16-28-19-9-4-3-5-10-19/h3-11H,12-17H2,1-2H3,(H2,23,24,26).
What are the key properties of 1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-[2-(phenoxymethyl)phenyl]urea?
1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-[2-(phenoxymethyl)phenyl]urea has a molecular weight of 383.49 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-3-[2-(phenoxymethyl)phenyl]urea is sourced from PubChem (CID 126771061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).