1-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylphenyl)urea

C19H23N3O2 — CID 108897210

IUPAC1-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylphenyl)urea
SMILESCc1ccccc1CNC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C19H23N3O2/c1-15-6-2-3-7-16(15)14-20-19(23)21-17-8-4-5-9-18(17)22-10-12-24-13-11-22/h2-9H,10-14H2,1H3,(H2,20,21,23)
InChIKeyAPBPMWBACVISEX-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.15
Rot. Bonds4

About 1-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylphenyl)urea

1-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylphenyl)urea (PubChem CID 108897210) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylphenyl)urea
PubChem CID108897210
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylphenyl)urea
SMILESCc1ccccc1CNC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C19H23N3O2/c1-15-6-2-3-7-16(15)14-20-19(23)21-17-8-4-5-9-18(17)22-10-12-24-13-11-22/h2-9H,10-14H2,1H3,(H2,20,21,23)
InChIKeyAPBPMWBACVISEX-UHFFFAOYSA-N
XLogP3.15
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(2-methylphenyl)methyl]-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108975019
2-[(2-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 108996603
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
CID 112973391
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
1-[(3,4-dimethylphenoxy)methyl]-3-(2-morpholin-4-ylphenyl)urea
CID 108879170
1-(2,4-dimethylphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108991302
2-(2,6-dimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109007545
2-(2-aminophenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 28712686
2-(2-fluorophenyl)-N-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 113000301
1-[2-(2-ethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
CID 112971778
1-(2-morpholin-4-ylphenyl)-3-pentan-3-ylurea
CID 108888338

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylphenyl)urea?
The IUPAC name of 1-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylphenyl)urea (CID 108897210) is 1-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylphenyl)urea.
What is the SMILES notation for 1-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylphenyl)urea?
The canonical SMILES for 1-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylphenyl)urea is Cc1ccccc1CNC(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 1-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylphenyl)urea?
The InChIKey is APBPMWBACVISEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15-6-2-3-7-16(15)14-20-19(23)21-17-8-4-5-9-18(17)22-10-12-24-13-11-22/h2-9H,10-14H2,1H3,(H2,20,21,23).
What are the key properties of 1-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylphenyl)urea?
1-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylphenyl)urea has a molecular weight of 325.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylphenyl)urea is sourced from PubChem (CID 108897210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).