1-[(4-tert-butylphenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea

C25H35N3O2 — CID 30312063

IUPAC1-[(4-tert-butylphenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C25H35N3O2/c1-25(2,3)23-11-9-21(10-12-23)18-27(4)24(29)26-17-20-5-7-22(8-6-20)19-28-13-15-30-16-14-28/h5-12H,13-19H2,1-4H3,(H,26,29)
InChIKeyQETALIMGBIVZRH-UHFFFAOYSA-N
MW409.57 g/mol
LogP4.16
Rot. Bonds6

About 1-[(4-tert-butylphenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea

1-[(4-tert-butylphenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea (PubChem CID 30312063) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
PubChem CID30312063
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC Name1-[(4-tert-butylphenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C25H35N3O2/c1-25(2,3)23-11-9-21(10-12-23)18-27(4)24(29)26-17-20-5-7-22(8-6-20)19-28-13-15-30-16-14-28/h5-12H,13-19H2,1-4H3,(H,26,29)
InChIKeyQETALIMGBIVZRH-UHFFFAOYSA-N
XLogP4.16
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.57
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-tert-butylphenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea with MolForge

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 30311979
1-[(4-chlorophenyl)methyl]-1-methyl-3-[(4-morpholin-4-ylphenyl)methyl]urea
CID 86831390
3-[[4-(dimethylamino)phenyl]methyl]-1-methyl-1-[(4-morpholin-4-ylphenyl)methyl]urea
CID 38949614
1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-propylurea
CID 87000273
1-benzyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-prop-2-enylurea
CID 87000266
N-[(4-chlorophenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
CID 43908262
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 86914093
1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1-[(1S)-1-phenylethyl]urea
CID 31647122
3-[[benzyl(methyl)carbamoyl]amino]-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 56512786
1-[(4-fluorophenyl)methyl]-1,2-dimethyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111307469
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
CID 8991176
N-benzyl-4-(morpholin-4-ylmethyl)benzamide
CID 786772

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea (CID 30312063) is 1-[(4-tert-butylphenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea is CN(Cc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The InChIKey is QETALIMGBIVZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-25(2,3)23-11-9-21(10-12-23)18-27(4)24(29)26-17-20-5-7-22(8-6-20)19-28-13-15-30-16-14-28/h5-12H,13-19H2,1-4H3,(H,26,29).
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea?
1-[(4-tert-butylphenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea has a molecular weight of 409.57 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-1-methyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 30312063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).