N'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide

C16H22ClN3O3 — CID 108518449

IUPACN'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C16H22ClN3O3/c1-12-11-13(17)3-4-14(12)19-16(22)15(21)18-5-2-6-20-7-9-23-10-8-20/h3-4,11H,2,5-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyDXOVSOLFFRTDBP-UHFFFAOYSA-N
MW339.82 g/mol
LogP1.43
Rot. Bonds5

About N'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide

N'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 108518449) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is N'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID108518449
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC NameN'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESCc1cc(Cl)ccc1NC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C16H22ClN3O3/c1-12-11-13(17)3-4-14(12)19-16(22)15(21)18-5-2-6-20-7-9-23-10-8-20/h3-4,11H,2,5-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyDXOVSOLFFRTDBP-UHFFFAOYSA-N
XLogP1.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291374
N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291523
N'-(2-methyl-4-nitrophenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 18588868
N'-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 55746271
N'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 47225106
N'-(5-chloro-2-methylphenyl)-N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42269096
1-[4-(difluoromethoxy)-2-methylphenyl]-3-(3-morpholin-4-ylpropyl)urea
CID 118782826
N'-(4-chloro-2-methylphenyl)-N-(3-methylbutyl)oxamide
CID 4066103
2-amino-4-chloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168459
N'-(4-chloro-2-methylphenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108524156
N-(3-morpholin-4-ylpropyl)-N'-(2-nitrophenyl)oxamide
CID 7585342
3-methyl-4-(3-morpholin-4-ylpropylamino)benzoic acid
CID 62710111

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide (CID 108518449) is N'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide is Cc1cc(Cl)ccc1NC(=O)C(=O)NCCCN1CCOCC1.
What is the InChIKey of N'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is DXOVSOLFFRTDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c1-12-11-13(17)3-4-14(12)19-16(22)15(21)18-5-2-6-20-7-9-23-10-8-20/h3-4,11H,2,5-10H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
N'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 339.82 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 108518449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).