N-(2-methylcyclohexyl)-N'-(2-morpholin-4-ylphenyl)oxamide

C19H27N3O3 — CID 108525006

IUPACN-(2-methylcyclohexyl)-N'-(2-morpholin-4-ylphenyl)oxamide
SMILESCC1CCCCC1NC(=O)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C19H27N3O3/c1-14-6-2-3-7-15(14)20-18(23)19(24)21-16-8-4-5-9-17(16)22-10-12-25-13-11-22/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyMLJIEAJDPMWRDZ-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.16
Rot. Bonds3

About N-(2-methylcyclohexyl)-N'-(2-morpholin-4-ylphenyl)oxamide

N-(2-methylcyclohexyl)-N'-(2-morpholin-4-ylphenyl)oxamide (PubChem CID 108525006) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-N'-(2-morpholin-4-ylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-N'-(2-morpholin-4-ylphenyl)oxamide
PubChem CID108525006
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-(2-methylcyclohexyl)-N'-(2-morpholin-4-ylphenyl)oxamide
SMILESCC1CCCCC1NC(=O)C(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C19H27N3O3/c1-14-6-2-3-7-15(14)20-18(23)19(24)21-16-8-4-5-9-17(16)22-10-12-25-13-11-22/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyMLJIEAJDPMWRDZ-UHFFFAOYSA-N
XLogP2.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2-tert-butylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]oxamide
CID 124605766
1-(2,4-dimorpholin-4-ylphenyl)-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 8654348
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
N-(2-amino-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108527553
2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)-2-oxoacetamide
CID 108517102
N'-methyl-N-(2-morpholin-4-ylphenyl)-N'-phenyloxamide
CID 108520938
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)oxamide
CID 108526068
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
N-(2-bromo-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108527541
2-[acetyl(cyclohexyl)amino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 113159561
N-[3-(dimethylamino)propyl]-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108524772
N-(2-morpholin-4-ylphenyl)-2-(oxan-2-yl)acetamide
CID 110425335

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-N'-(2-morpholin-4-ylphenyl)oxamide?
The IUPAC name of N-(2-methylcyclohexyl)-N'-(2-morpholin-4-ylphenyl)oxamide (CID 108525006) is N-(2-methylcyclohexyl)-N'-(2-morpholin-4-ylphenyl)oxamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-N'-(2-morpholin-4-ylphenyl)oxamide?
The canonical SMILES for N-(2-methylcyclohexyl)-N'-(2-morpholin-4-ylphenyl)oxamide is CC1CCCCC1NC(=O)C(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of N-(2-methylcyclohexyl)-N'-(2-morpholin-4-ylphenyl)oxamide?
The InChIKey is MLJIEAJDPMWRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-6-2-3-7-15(14)20-18(23)19(24)21-16-8-4-5-9-17(16)22-10-12-25-13-11-22/h4-5,8-9,14-15H,2-3,6-7,10-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(2-methylcyclohexyl)-N'-(2-morpholin-4-ylphenyl)oxamide?
N-(2-methylcyclohexyl)-N'-(2-morpholin-4-ylphenyl)oxamide has a molecular weight of 345.44 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-N'-(2-morpholin-4-ylphenyl)oxamide is sourced from PubChem (CID 108525006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).