1-(2-methylphenyl)-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea

C19H27N3O3 — CID 1444536

IUPAC1-(2-methylphenyl)-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea
SMILESCc1ccccc1NC(=O)NC1(C(=O)N2CCOCC2)CCCCC1
InChIInChI=1S/C19H27N3O3/c1-15-7-3-4-8-16(15)20-18(24)21-19(9-5-2-6-10-19)17(23)22-11-13-25-14-12-22/h3-4,7-8H,2,5-6,9-14H2,1H3,(H2,20,21,24)
InChIKeyXAKMDGGVKRRPBF-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.68
Rot. Bonds3

About 1-(2-methylphenyl)-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea

1-(2-methylphenyl)-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea (PubChem CID 1444536) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea
PubChem CID1444536
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-(2-methylphenyl)-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea
SMILESCc1ccccc1NC(=O)NC1(C(=O)N2CCOCC2)CCCCC1
InChIInChI=1S/C19H27N3O3/c1-15-7-3-4-8-16(15)20-18(24)21-19(9-5-2-6-10-19)17(23)22-11-13-25-14-12-22/h3-4,7-8H,2,5-6,9-14H2,1H3,(H2,20,21,24)
InChIKeyXAKMDGGVKRRPBF-UHFFFAOYSA-N
XLogP2.68
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea?
The IUPAC name of 1-(2-methylphenyl)-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea (CID 1444536) is 1-(2-methylphenyl)-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea?
The canonical SMILES for 1-(2-methylphenyl)-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea is Cc1ccccc1NC(=O)NC1(C(=O)N2CCOCC2)CCCCC1.
What is the InChIKey of 1-(2-methylphenyl)-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea?
The InChIKey is XAKMDGGVKRRPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-15-7-3-4-8-16(15)20-18(24)21-19(9-5-2-6-10-19)17(23)22-11-13-25-14-12-22/h3-4,7-8H,2,5-6,9-14H2,1H3,(H2,20,21,24).
What are the key properties of 1-(2-methylphenyl)-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea?
1-(2-methylphenyl)-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea has a molecular weight of 345.44 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[1-(morpholine-4-carbonyl)cyclohexyl]urea is sourced from PubChem (CID 1444536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).