1-[2-(dimethylamino)-2-phenylethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea

C23H32N4O2 — CID 55924789

IUPAC1-[2-(dimethylamino)-2-phenylethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESCN(C)C(CNC(=O)NCc1cccc(CN2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C23H32N4O2/c1-26(2)22(21-9-4-3-5-10-21)17-25-23(28)24-16-19-7-6-8-20(15-19)18-27-11-13-29-14-12-27/h3-10,15,22H,11-14,16-18H2,1-2H3,(H2,24,25,28)
InChIKeyUWUUIPYRFKXCQE-UHFFFAOYSA-N
MW396.54 g/mol
LogP2.62
Rot. Bonds8

About 1-[2-(dimethylamino)-2-phenylethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea

1-[2-(dimethylamino)-2-phenylethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea (PubChem CID 55924789) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-phenylethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-phenylethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
PubChem CID55924789
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name1-[2-(dimethylamino)-2-phenylethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESCN(C)C(CNC(=O)NCc1cccc(CN2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C23H32N4O2/c1-26(2)22(21-9-4-3-5-10-21)17-25-23(28)24-16-19-7-6-8-20(15-19)18-27-11-13-29-14-12-27/h3-10,15,22H,11-14,16-18H2,1-2H3,(H2,24,25,28)
InChIKeyUWUUIPYRFKXCQE-UHFFFAOYSA-N
XLogP2.62
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(dimethylamino)-2-phenylethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea with MolForge

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Related Compounds

1-benzyl-3-[(2R)-2-(dimethylamino)-2-phenylethyl]urea
CID 32838068
2-[methyl(methylsulfonyl)amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 133190535
1-[(3-chlorophenyl)methyl]-3-[2-(dimethylamino)-2-phenylethyl]urea
CID 110301965
1-(2-methylphenyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 87008869
2-(dimethylamino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 51127553
(2R)-2-(dimethylamino)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 52522894
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2-phenoxypropanamide
CID 75814355
3-[[benzyl(methyl)carbamoyl]amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 56512786
3-(morpholin-4-ylmethyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 95237190
1-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97314007
1-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97314006
methyl 2-methoxy-5-[[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoylamino]methyl]benzoate
CID 55921387

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-phenylethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-[2-(dimethylamino)-2-phenylethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea (CID 55924789) is 1-[2-(dimethylamino)-2-phenylethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-phenylethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-phenylethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea is CN(C)C(CNC(=O)NCc1cccc(CN2CCOCC2)c1)c1ccccc1.
What is the InChIKey of 1-[2-(dimethylamino)-2-phenylethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The InChIKey is UWUUIPYRFKXCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-26(2)22(21-9-4-3-5-10-21)17-25-23(28)24-16-19-7-6-8-20(15-19)18-27-11-13-29-14-12-27/h3-10,15,22H,11-14,16-18H2,1-2H3,(H2,24,25,28).
What are the key properties of 1-[2-(dimethylamino)-2-phenylethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea?
1-[2-(dimethylamino)-2-phenylethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea has a molecular weight of 396.54 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-phenylethyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 55924789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).