N'-(4-aminophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]oxamide

C21H26N4O3 — CID 166237377

IUPACN'-(4-aminophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]oxamide
SMILESCc1cccc(C(CNC(=O)C(=O)Nc2ccc(N)cc2)N2CCOCC2)c1
InChIInChI=1S/C21H26N4O3/c1-15-3-2-4-16(13-15)19(25-9-11-28-12-10-25)14-23-20(26)21(27)24-18-7-5-17(22)6-8-18/h2-8,13,19H,9-12,14,22H2,1H3,(H,23,26)(H,24,27)
InChIKeyJVWICIIOCFXIQD-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.71
Rot. Bonds5

About N'-(4-aminophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]oxamide

N'-(4-aminophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]oxamide (PubChem CID 166237377) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N'-(4-aminophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]oxamide.

Molecular Properties

Compound NameN'-(4-aminophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]oxamide
PubChem CID166237377
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN'-(4-aminophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]oxamide
SMILESCc1cccc(C(CNC(=O)C(=O)Nc2ccc(N)cc2)N2CCOCC2)c1
InChIInChI=1S/C21H26N4O3/c1-15-3-2-4-16(13-15)19(25-9-11-28-12-10-25)14-23-20(26)21(27)24-18-7-5-17(22)6-8-18/h2-8,13,19H,9-12,14,22H2,1H3,(H,23,26)(H,24,27)
InChIKeyJVWICIIOCFXIQD-UHFFFAOYSA-N
XLogP1.71
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 119849688
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
CID 154856473
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide
CID 110623787
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835218
3-amino-2-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119849677
1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 110304148
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N'-phenyloxamide
CID 7285765
N-[(2S)-2-morpholin-4-yl-2-thiophen-3-ylethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 30606016
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 30835239
N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 18571899
2-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112506492
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119849719

Frequently Asked Questions

What is the IUPAC name of N'-(4-aminophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]oxamide?
The IUPAC name of N'-(4-aminophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]oxamide (CID 166237377) is N'-(4-aminophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]oxamide.
What is the SMILES notation for N'-(4-aminophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]oxamide?
The canonical SMILES for N'-(4-aminophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]oxamide is Cc1cccc(C(CNC(=O)C(=O)Nc2ccc(N)cc2)N2CCOCC2)c1.
What is the InChIKey of N'-(4-aminophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]oxamide?
The InChIKey is JVWICIIOCFXIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15-3-2-4-16(13-15)19(25-9-11-28-12-10-25)14-23-20(26)21(27)24-18-7-5-17(22)6-8-18/h2-8,13,19H,9-12,14,22H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N'-(4-aminophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]oxamide?
N'-(4-aminophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]oxamide has a molecular weight of 382.46 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-aminophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]oxamide is sourced from PubChem (CID 166237377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).