1-[[4-[2-(4-methoxy-2-methylphenyl)acetyl]morpholin-3-yl]methyl]-3-methylurea

C17H25N3O4 — CID 146140170

IUPAC1-[[4-[2-(4-methoxy-2-methylphenyl)acetyl]morpholin-3-yl]methyl]-3-methylurea
SMILESCNC(=O)NCC1COCCN1C(=O)Cc1ccc(OC)cc1C
InChIInChI=1S/C17H25N3O4/c1-12-8-15(23-3)5-4-13(12)9-16(21)20-6-7-24-11-14(20)10-19-17(22)18-2/h4-5,8,14H,6-7,9-11H2,1-3H3,(H2,18,19,22)
InChIKeyZTFSXAGJWTWNHV-UHFFFAOYSA-N
MW335.40 g/mol
LogP0.70
Rot. Bonds5

About 1-[[4-[2-(4-methoxy-2-methylphenyl)acetyl]morpholin-3-yl]methyl]-3-methylurea

1-[[4-[2-(4-methoxy-2-methylphenyl)acetyl]morpholin-3-yl]methyl]-3-methylurea (PubChem CID 146140170) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-[[4-[2-(4-methoxy-2-methylphenyl)acetyl]morpholin-3-yl]methyl]-3-methylurea.

Molecular Properties

Compound Name1-[[4-[2-(4-methoxy-2-methylphenyl)acetyl]morpholin-3-yl]methyl]-3-methylurea
PubChem CID146140170
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name1-[[4-[2-(4-methoxy-2-methylphenyl)acetyl]morpholin-3-yl]methyl]-3-methylurea
SMILESCNC(=O)NCC1COCCN1C(=O)Cc1ccc(OC)cc1C
InChIInChI=1S/C17H25N3O4/c1-12-8-15(23-3)5-4-13(12)9-16(21)20-6-7-24-11-14(20)10-19-17(22)18-2/h4-5,8,14H,6-7,9-11H2,1-3H3,(H2,18,19,22)
InChIKeyZTFSXAGJWTWNHV-UHFFFAOYSA-N
XLogP0.70
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-(4-methoxy-2-methylphenyl)acetyl]morpholin-3-yl]methyl]-3-methylurea?
The IUPAC name of 1-[[4-[2-(4-methoxy-2-methylphenyl)acetyl]morpholin-3-yl]methyl]-3-methylurea (CID 146140170) is 1-[[4-[2-(4-methoxy-2-methylphenyl)acetyl]morpholin-3-yl]methyl]-3-methylurea.
What is the SMILES notation for 1-[[4-[2-(4-methoxy-2-methylphenyl)acetyl]morpholin-3-yl]methyl]-3-methylurea?
The canonical SMILES for 1-[[4-[2-(4-methoxy-2-methylphenyl)acetyl]morpholin-3-yl]methyl]-3-methylurea is CNC(=O)NCC1COCCN1C(=O)Cc1ccc(OC)cc1C.
What is the InChIKey of 1-[[4-[2-(4-methoxy-2-methylphenyl)acetyl]morpholin-3-yl]methyl]-3-methylurea?
The InChIKey is ZTFSXAGJWTWNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-12-8-15(23-3)5-4-13(12)9-16(21)20-6-7-24-11-14(20)10-19-17(22)18-2/h4-5,8,14H,6-7,9-11H2,1-3H3,(H2,18,19,22).
What are the key properties of 1-[[4-[2-(4-methoxy-2-methylphenyl)acetyl]morpholin-3-yl]methyl]-3-methylurea?
1-[[4-[2-(4-methoxy-2-methylphenyl)acetyl]morpholin-3-yl]methyl]-3-methylurea has a molecular weight of 335.40 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-(4-methoxy-2-methylphenyl)acetyl]morpholin-3-yl]methyl]-3-methylurea is sourced from PubChem (CID 146140170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).