1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea

C16H23N3O3 — CID 78894338

IUPAC1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
SMILESCC(C)(C)NC(=O)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)18-15(21)17-13-6-4-5-12(11-13)14(20)19-7-9-22-10-8-19/h4-6,11H,7-10H2,1-3H3,(H2,17,18,21)
InChIKeyJDDQNMCTFQYGIG-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.08
Rot. Bonds2

About 1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea

1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea (PubChem CID 78894338) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
PubChem CID78894338
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
SMILESCC(C)(C)NC(=O)Nc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C16H23N3O3/c1-16(2,3)18-15(21)17-13-6-4-5-12(11-13)14(20)19-7-9-22-10-8-19/h4-6,11H,7-10H2,1-3H3,(H2,17,18,21)
InChIKeyJDDQNMCTFQYGIG-UHFFFAOYSA-N
XLogP2.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-tert-butyl-3-[3-(morpholine-4-carbonyl)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

N-tert-butyl-3-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844342
N-tert-butyl-4-[[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834411
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 51082716
2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 46736679
2-(3-acetamidoanilino)-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54831502
2-[3-(morpholine-4-carbonyl)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54836347
(E)-4-[3-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid
CID 17205425
3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122029654
N-[3-(morpholine-4-carbonyl)phenyl]-4-phenylbenzamide
CID 17205412
2-iodo-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205432

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea?
The IUPAC name of 1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea (CID 78894338) is 1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea?
The canonical SMILES for 1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea is CC(C)(C)NC(=O)Nc1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of 1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea?
The InChIKey is JDDQNMCTFQYGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-16(2,3)18-15(21)17-13-6-4-5-12(11-13)14(20)19-7-9-22-10-8-19/h4-6,11H,7-10H2,1-3H3,(H2,17,18,21).
What are the key properties of 1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea?
1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea has a molecular weight of 305.38 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea is sourced from PubChem (CID 78894338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).