1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-1-phenylethyl)urea

C23H31N3O2 — CID 78860899

IUPAC1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-1-phenylethyl)urea
SMILESCC(C)(CNC(=O)NC(CN1CCOCC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31N3O2/c1-23(2,20-11-7-4-8-12-20)18-24-22(27)25-21(19-9-5-3-6-10-19)17-26-13-15-28-16-14-26/h3-12,21H,13-18H2,1-2H3,(H2,24,25,27)
InChIKeyADBHGCGQEUPKQE-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.34
Rot. Bonds7

About 1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-1-phenylethyl)urea

1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-1-phenylethyl)urea (PubChem CID 78860899) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-1-phenylethyl)urea.

Molecular Properties

Compound Name1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-1-phenylethyl)urea
PubChem CID78860899
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-1-phenylethyl)urea
SMILESCC(C)(CNC(=O)NC(CN1CCOCC1)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H31N3O2/c1-23(2,20-11-7-4-8-12-20)18-24-22(27)25-21(19-9-5-3-6-10-19)17-26-13-15-28-16-14-26/h3-12,21H,13-18H2,1-2H3,(H2,24,25,27)
InChIKeyADBHGCGQEUPKQE-UHFFFAOYSA-N
XLogP3.34
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-1-phenylethyl)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

[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
1-[2-(dimethylamino)-1-phenylethyl]-3-(2-methyl-2-phenylpropyl)urea
CID 78880258
1-[(5-bromothiophen-2-yl)methyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea
CID 112818589
4-(methylamino)-N-(2-morpholin-4-yl-1-phenylethyl)butanamide;dihydrochloride
CID 119835993
1-[(2S)-4-methyl-4-phenylpentan-2-yl]-3-(2-morpholin-4-yl-2-oxoethyl)urea
CID 124616800
2-hydroxy-N-(2-morpholin-4-yl-1-phenylethyl)benzamide
CID 86918289
1-[2-(3-chlorophenyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea
CID 42954314
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
1-(2-morpholin-4-yl-1-phenylethyl)-3-(2-naphthalen-2-yloxyethyl)urea
CID 112817994
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(2-morpholin-4-yl-1-phenylethyl)urea
CID 112834684
2-fluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149743
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-oxo-4-phenylbutanamide
CID 9149359

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-1-phenylethyl)urea?
The IUPAC name of 1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-1-phenylethyl)urea (CID 78860899) is 1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-1-phenylethyl)urea.
What is the SMILES notation for 1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-1-phenylethyl)urea?
The canonical SMILES for 1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-1-phenylethyl)urea is CC(C)(CNC(=O)NC(CN1CCOCC1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-1-phenylethyl)urea?
The InChIKey is ADBHGCGQEUPKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-23(2,20-11-7-4-8-12-20)18-24-22(27)25-21(19-9-5-3-6-10-19)17-26-13-15-28-16-14-26/h3-12,21H,13-18H2,1-2H3,(H2,24,25,27).
What are the key properties of 1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-1-phenylethyl)urea?
1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-1-phenylethyl)urea has a molecular weight of 381.52 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-phenylpropyl)-3-(2-morpholin-4-yl-1-phenylethyl)urea is sourced from PubChem (CID 78860899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).