3-[[4-(dimethylamino)phenyl]methyl]-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea

C22H30N4O2 — CID 38949614

IUPAC3-[[4-(dimethylamino)phenyl]methyl]-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C22H30N4O2/c1-24(2)20-8-4-18(5-9-20)16-23-22(27)25(3)17-19-6-10-21(11-7-19)26-12-14-28-15-13-26/h4-11H,12-17H2,1-3H3,(H,23,27)
InChIKeyJMGNGQBSGJSEOL-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.93
Rot. Bonds6

About 3-[[4-(dimethylamino)phenyl]methyl]-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea

3-[[4-(dimethylamino)phenyl]methyl]-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea (PubChem CID 38949614) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)phenyl]methyl]-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea.

Molecular Properties

Compound Name3-[[4-(dimethylamino)phenyl]methyl]-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
PubChem CID38949614
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name3-[[4-(dimethylamino)phenyl]methyl]-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc(N(C)C)cc1
InChIInChI=1S/C22H30N4O2/c1-24(2)20-8-4-18(5-9-20)16-23-22(27)25(3)17-19-6-10-21(11-7-19)26-12-14-28-15-13-26/h4-11H,12-17H2,1-3H3,(H,23,27)
InChIKeyJMGNGQBSGJSEOL-UHFFFAOYSA-N
XLogP2.93
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 86831390
1,3-bis[[4-(dimethylamino)phenyl]methyl]-1-methylurea
CID 38949413
1-[(4-tert-butylphenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 30312063
N,N-dimethyl-4-morpholin-4-ylaniline
CID 11264229
3-(4-fluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 27734751
3-benzyl-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea
CID 42706411
tert-butyl N-[[4-[methyl-[(4-morpholin-4-ylphenyl)methyl]carbamoyl]phenyl]methyl]carbamate
CID 24516703
[4-(dimethylamino)phenyl]-(4-morpholin-4-ylphenyl)methanone
CID 101130657
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
1-[(3,4-dichlorophenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 30311979
3-(2,4-difluorophenyl)-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 46649991
N,N-dimethyl-3-[(4-morpholin-4-ylphenyl)methylamino]propanamide
CID 60926491

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)phenyl]methyl]-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea?
The IUPAC name of 3-[[4-(dimethylamino)phenyl]methyl]-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea (CID 38949614) is 3-[[4-(dimethylamino)phenyl]methyl]-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea.
What is the SMILES notation for 3-[[4-(dimethylamino)phenyl]methyl]-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea?
The canonical SMILES for 3-[[4-(dimethylamino)phenyl]methyl]-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc(N(C)C)cc1.
What is the InChIKey of 3-[[4-(dimethylamino)phenyl]methyl]-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea?
The InChIKey is JMGNGQBSGJSEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-24(2)20-8-4-18(5-9-20)16-23-22(27)25(3)17-19-6-10-21(11-7-19)26-12-14-28-15-13-26/h4-11H,12-17H2,1-3H3,(H,23,27).
What are the key properties of 3-[[4-(dimethylamino)phenyl]methyl]-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea?
3-[[4-(dimethylamino)phenyl]methyl]-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea has a molecular weight of 382.51 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)phenyl]methyl]-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea is sourced from PubChem (CID 38949614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).