1-[(4-methyl-1-morpholin-4-ylcyclohexyl)methyl]-3-(4-methylphenyl)urea

C20H31N3O2 — CID 16842161

IUPAC1-[(4-methyl-1-morpholin-4-ylcyclohexyl)methyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCC2(N3CCOCC3)CCC(C)CC2)cc1
InChIInChI=1S/C20H31N3O2/c1-16-3-5-18(6-4-16)22-19(24)21-15-20(9-7-17(2)8-10-20)23-11-13-25-14-12-23/h3-6,17H,7-15H2,1-2H3,(H2,21,22,24)
InChIKeyVUACQYOMZBKCKM-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.40
Rot. Bonds4

About 1-[(4-methyl-1-morpholin-4-ylcyclohexyl)methyl]-3-(4-methylphenyl)urea

1-[(4-methyl-1-morpholin-4-ylcyclohexyl)methyl]-3-(4-methylphenyl)urea (PubChem CID 16842161) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-[(4-methyl-1-morpholin-4-ylcyclohexyl)methyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(4-methyl-1-morpholin-4-ylcyclohexyl)methyl]-3-(4-methylphenyl)urea
PubChem CID16842161
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-[(4-methyl-1-morpholin-4-ylcyclohexyl)methyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCC2(N3CCOCC3)CCC(C)CC2)cc1
InChIInChI=1S/C20H31N3O2/c1-16-3-5-18(6-4-16)22-19(24)21-15-20(9-7-17(2)8-10-20)23-11-13-25-14-12-23/h3-6,17H,7-15H2,1-2H3,(H2,21,22,24)
InChIKeyVUACQYOMZBKCKM-UHFFFAOYSA-N
XLogP3.40
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 8785968
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
1-(4-methoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 42960503
1-(3-acetylphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 55696476
1-[4-(azepane-1-carbonyl)phenyl]-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 55833645
1-(3,5-dimethoxyphenyl)-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]urea
CID 55696410
1-(4-fluorophenyl)-3-[(1-hydroxy-4-methylcyclohexyl)methyl]urea
CID 65121668
1-[(3-morpholin-4-ylthiolan-3-yl)methyl]-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 55912125
2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 17427029
N-(4-fluorophenyl)-2-[[N'-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]carbamimidoyl]amino]acetamide
CID 111003535
1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
CID 56553698
(3R)-3-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 31288160

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methyl-1-morpholin-4-ylcyclohexyl)methyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(4-methyl-1-morpholin-4-ylcyclohexyl)methyl]-3-(4-methylphenyl)urea (CID 16842161) is 1-[(4-methyl-1-morpholin-4-ylcyclohexyl)methyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(4-methyl-1-morpholin-4-ylcyclohexyl)methyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(4-methyl-1-morpholin-4-ylcyclohexyl)methyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NCC2(N3CCOCC3)CCC(C)CC2)cc1.
What is the InChIKey of 1-[(4-methyl-1-morpholin-4-ylcyclohexyl)methyl]-3-(4-methylphenyl)urea?
The InChIKey is VUACQYOMZBKCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-16-3-5-18(6-4-16)22-19(24)21-15-20(9-7-17(2)8-10-20)23-11-13-25-14-12-23/h3-6,17H,7-15H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[(4-methyl-1-morpholin-4-ylcyclohexyl)methyl]-3-(4-methylphenyl)urea?
1-[(4-methyl-1-morpholin-4-ylcyclohexyl)methyl]-3-(4-methylphenyl)urea has a molecular weight of 345.49 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methyl-1-morpholin-4-ylcyclohexyl)methyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 16842161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).