1,1-dimethyl-3-[4-(4-morpholin-4-ylphenyl)phenyl]urea

C19H23N3O2 — CID 72939182

IUPAC1,1-dimethyl-3-[4-(4-morpholin-4-ylphenyl)phenyl]urea
SMILESCN(C)C(=O)Nc1ccc(-c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H23N3O2/c1-21(2)19(23)20-17-7-3-15(4-8-17)16-5-9-18(10-6-16)22-11-13-24-14-12-22/h3-10H,11-14H2,1-2H3,(H,20,23)
InChIKeyZVAVTMPDYJHDLJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.28
Rot. Bonds3

About 1,1-dimethyl-3-[4-(4-morpholin-4-ylphenyl)phenyl]urea

1,1-dimethyl-3-[4-(4-morpholin-4-ylphenyl)phenyl]urea (PubChem CID 72939182) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1,1-dimethyl-3-[4-(4-morpholin-4-ylphenyl)phenyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[4-(4-morpholin-4-ylphenyl)phenyl]urea
PubChem CID72939182
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1,1-dimethyl-3-[4-(4-morpholin-4-ylphenyl)phenyl]urea
SMILESCN(C)C(=O)Nc1ccc(-c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C19H23N3O2/c1-21(2)19(23)20-17-7-3-15(4-8-17)16-5-9-18(10-6-16)22-11-13-24-14-12-22/h3-10H,11-14H2,1-2H3,(H,20,23)
InChIKeyZVAVTMPDYJHDLJ-UHFFFAOYSA-N
XLogP3.28
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1-dimethyl-3-[4-(4-morpholin-4-ylphenyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]carbamoylamino]phenyl]-1,1-dimethylurea
CID 66586009
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
N,N-dimethyl-4-[(4-morpholin-4-ylbenzoyl)amino]benzamide
CID 70703870
3-(4-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 27734751
(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide
CID 7509574
3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide
CID 731852
1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea
CID 47173524
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
1,1-dimethyl-3-[2-(4-morpholin-4-ylphenyl)ethyl]urea
CID 110405022
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 8592798
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
2-hydrazinyl-N-(4-morpholin-4-ylphenyl)-2-oxoacetamide
CID 59464167

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[4-(4-morpholin-4-ylphenyl)phenyl]urea?
The IUPAC name of 1,1-dimethyl-3-[4-(4-morpholin-4-ylphenyl)phenyl]urea (CID 72939182) is 1,1-dimethyl-3-[4-(4-morpholin-4-ylphenyl)phenyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[4-(4-morpholin-4-ylphenyl)phenyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[4-(4-morpholin-4-ylphenyl)phenyl]urea is CN(C)C(=O)Nc1ccc(-c2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 1,1-dimethyl-3-[4-(4-morpholin-4-ylphenyl)phenyl]urea?
The InChIKey is ZVAVTMPDYJHDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-21(2)19(23)20-17-7-3-15(4-8-17)16-5-9-18(10-6-16)22-11-13-24-14-12-22/h3-10H,11-14H2,1-2H3,(H,20,23).
What are the key properties of 1,1-dimethyl-3-[4-(4-morpholin-4-ylphenyl)phenyl]urea?
1,1-dimethyl-3-[4-(4-morpholin-4-ylphenyl)phenyl]urea has a molecular weight of 325.41 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[4-(4-morpholin-4-ylphenyl)phenyl]urea is sourced from PubChem (CID 72939182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).