1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea

C14H21N3O2 — CID 47173524

IUPAC1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H21N3O2/c1-11(2)15-14(18)16-12-3-5-13(6-4-12)17-7-9-19-10-8-17/h3-6,11H,7-10H2,1-2H3,(H2,15,16,18)
InChIKeyGUACJUQCNVDUDM-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.05
Rot. Bonds3

About 1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea

1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea (PubChem CID 47173524) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea
PubChem CID47173524
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C14H21N3O2/c1-11(2)15-14(18)16-12-3-5-13(6-4-12)17-7-9-19-10-8-17/h3-6,11H,7-10H2,1-2H3,(H2,15,16,18)
InChIKeyGUACJUQCNVDUDM-UHFFFAOYSA-N
XLogP2.05
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea 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

1-propan-2-yl-3-[4-(4-pyrrolidin-1-ylanilino)phenyl]urea
CID 112988776
1-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-3-phenylurea
CID 95238427
2-(4-morpholin-4-ylanilino)-N-propan-2-ylacetamide
CID 60647079
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea
CID 49283001
1-(4-morpholin-4-ylphenyl)-3-propylurea
CID 2788991
(2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide
CID 41236080
1-[(4-morpholin-4-ylphenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 86830614
N'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47224104
3-methyl-N-(4-morpholin-4-ylphenyl)but-2-enamide
CID 731852
2-acetamido-2-cyclopentyl-N-(4-morpholin-4-ylphenyl)acetamide
CID 42924063
(2S)-2-(cyclohexylamino)-N-(4-morpholin-4-ylphenyl)propanamide
CID 7928372

Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea?
The IUPAC name of 1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea (CID 47173524) is 1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea?
The InChIKey is GUACJUQCNVDUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11(2)15-14(18)16-12-3-5-13(6-4-12)17-7-9-19-10-8-17/h3-6,11H,7-10H2,1-2H3,(H2,15,16,18).
What are the key properties of 1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea?
1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea has a molecular weight of 263.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea is sourced from PubChem (CID 47173524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).