1-[2-(morpholin-4-ylmethyl)phenyl]-3-propan-2-ylurea

C15H23N3O2 — CID 47265141

IUPAC1-[2-(morpholin-4-ylmethyl)phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccccc1CN1CCOCC1
InChIInChI=1S/C15H23N3O2/c1-12(2)16-15(19)17-14-6-4-3-5-13(14)11-18-7-9-20-10-8-18/h3-6,12H,7-11H2,1-2H3,(H2,16,17,19)
InChIKeyJXBRXRZZAHWZBC-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.05
Rot. Bonds4

About 1-[2-(morpholin-4-ylmethyl)phenyl]-3-propan-2-ylurea

1-[2-(morpholin-4-ylmethyl)phenyl]-3-propan-2-ylurea (PubChem CID 47265141) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[2-(morpholin-4-ylmethyl)phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(morpholin-4-ylmethyl)phenyl]-3-propan-2-ylurea
PubChem CID47265141
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[2-(morpholin-4-ylmethyl)phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccccc1CN1CCOCC1
InChIInChI=1S/C15H23N3O2/c1-12(2)16-15(19)17-14-6-4-3-5-13(14)11-18-7-9-20-10-8-18/h3-6,12H,7-11H2,1-2H3,(H2,16,17,19)
InChIKeyJXBRXRZZAHWZBC-UHFFFAOYSA-N
XLogP2.05
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(morpholin-4-ylmethyl)phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(morpholin-4-ylmethyl)phenyl]-3-propan-2-ylurea (CID 47265141) is 1-[2-(morpholin-4-ylmethyl)phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(morpholin-4-ylmethyl)phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(morpholin-4-ylmethyl)phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccccc1CN1CCOCC1.
What is the InChIKey of 1-[2-(morpholin-4-ylmethyl)phenyl]-3-propan-2-ylurea?
The InChIKey is JXBRXRZZAHWZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12(2)16-15(19)17-14-6-4-3-5-13(14)11-18-7-9-20-10-8-18/h3-6,12H,7-11H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-[2-(morpholin-4-ylmethyl)phenyl]-3-propan-2-ylurea?
1-[2-(morpholin-4-ylmethyl)phenyl]-3-propan-2-ylurea has a molecular weight of 277.37 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(morpholin-4-ylmethyl)phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 47265141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).