(4-morpholin-4-ylphenyl)methylurea

C12H17N3O2 — CID 142276122

IUPAC(4-morpholin-4-ylphenyl)methylurea
SMILESNC(=O)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C12H17N3O2/c13-12(16)14-9-10-1-3-11(4-2-10)15-5-7-17-8-6-15/h1-4H,5-9H2,(H3,13,14,16)
InChIKeyVQNVRACNXYJEJG-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.69
Rot. Bonds3

About (4-morpholin-4-ylphenyl)methylurea

(4-morpholin-4-ylphenyl)methylurea (PubChem CID 142276122) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (4-morpholin-4-ylphenyl)methylurea.

Molecular Properties

Compound Name(4-morpholin-4-ylphenyl)methylurea
PubChem CID142276122
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(4-morpholin-4-ylphenyl)methylurea
SMILESNC(=O)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C12H17N3O2/c13-12(16)14-9-10-1-3-11(4-2-10)15-5-7-17-8-6-15/h1-4H,5-9H2,(H3,13,14,16)
InChIKeyVQNVRACNXYJEJG-UHFFFAOYSA-N
XLogP0.69
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide
CID 110405120
2-[(4-morpholin-4-ylphenyl)methylamino]ethyl carbamate
CID 83210921
5-(4-morpholin-4-ylphenyl)pentanamide
CID 155168497
N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891636
N-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86831395
N-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 110405121
N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 56922873
2-hydroxy-3,4-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 86830423
N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 94249234
3-bromo-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 110405123
N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 56922098
2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 28784276

Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylphenyl)methylurea?
The IUPAC name of (4-morpholin-4-ylphenyl)methylurea (CID 142276122) is (4-morpholin-4-ylphenyl)methylurea.
What is the SMILES notation for (4-morpholin-4-ylphenyl)methylurea?
The canonical SMILES for (4-morpholin-4-ylphenyl)methylurea is NC(=O)NCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (4-morpholin-4-ylphenyl)methylurea?
The InChIKey is VQNVRACNXYJEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-12(16)14-9-10-1-3-11(4-2-10)15-5-7-17-8-6-15/h1-4H,5-9H2,(H3,13,14,16).
What are the key properties of (4-morpholin-4-ylphenyl)methylurea?
(4-morpholin-4-ylphenyl)methylurea has a molecular weight of 235.29 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylphenyl)methylurea is sourced from PubChem (CID 142276122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).