N-(2-amino-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide

C19H22N4O3 — CID 108527553

IUPACN-(2-amino-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2ccccc2N2CCOCC2)c(N)c1
InChIInChI=1S/C19H22N4O3/c1-13-6-7-15(14(20)12-13)21-18(24)19(25)22-16-4-2-3-5-17(16)23-8-10-26-11-9-23/h2-7,12H,8-11,20H2,1H3,(H,21,24)(H,22,25)
InChIKeyYTXBDLCCLMMOOC-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.99
Rot. Bonds3

About N-(2-amino-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide

N-(2-amino-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide (PubChem CID 108527553) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide
PubChem CID108527553
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-(2-amino-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2ccccc2N2CCOCC2)c(N)c1
InChIInChI=1S/C19H22N4O3/c1-13-6-7-15(14(20)12-13)21-18(24)19(25)22-16-4-2-3-5-17(16)23-8-10-26-11-9-23/h2-7,12H,8-11,20H2,1H3,(H,21,24)(H,22,25)
InChIKeyYTXBDLCCLMMOOC-UHFFFAOYSA-N
XLogP1.99
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108527541
1-(2,4-dimethylphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108991302
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
3-amino-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 28723668
ethyl 4-[[2-(2-morpholin-4-ylanilino)-2-oxoacetyl]amino]benzoate
CID 108500117
3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 75618828
4-(2,5-dimethylphenyl)-N-(2-morpholin-4-ylphenyl)-4-oxobutanamide
CID 17459754
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-ylphenyl)oxamide
CID 108527534
N',N'-diethyl-N-(2-morpholin-4-ylphenyl)oxamide
CID 108526068
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
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide (CID 108527553) is N-(2-amino-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)Nc2ccccc2N2CCOCC2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide?
The InChIKey is YTXBDLCCLMMOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13-6-7-15(14(20)12-13)21-18(24)19(25)22-16-4-2-3-5-17(16)23-8-10-26-11-9-23/h2-7,12H,8-11,20H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(2-amino-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide?
N-(2-amino-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide has a molecular weight of 354.41 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide is sourced from PubChem (CID 108527553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).