N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide

C15H20ClN3O3 — CID 2291374

IUPACN'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H20ClN3O3/c16-12-4-1-2-5-13(12)18-15(21)14(20)17-6-3-7-19-8-10-22-11-9-19/h1-2,4-5H,3,6-11H2,(H,17,20)(H,18,21)
InChIKeyPCIGNGHTQQAOPN-UHFFFAOYSA-N
MW325.80 g/mol
LogP1.12
Rot. Bonds5

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

N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 2291374) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID2291374
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC NameN'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H20ClN3O3/c16-12-4-1-2-5-13(12)18-15(21)14(20)17-6-3-7-19-8-10-22-11-9-19/h1-2,4-5H,3,6-11H2,(H,17,20)(H,18,21)
InChIKeyPCIGNGHTQQAOPN-UHFFFAOYSA-N
XLogP1.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.12
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-(4-phenylpiperazin-1-yl)propyl]oxamide
CID 42390241
N'-(2-chlorophenyl)-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]oxamide
CID 27557843
N-(3-morpholin-4-ylpropyl)-N'-(2-nitrophenyl)oxamide
CID 7585342
N'-(2-chlorophenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390070
N'-(4-chloro-2-methylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 108518449
N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291523
N'-[(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
CID 3128229
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2-chlorophenyl)oxamide
CID 16891953
N'-(4-carbamoylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 7584971
(E)-3-(2,6-dichlorophenyl)-N-(4-morpholin-4-ylbutyl)prop-2-enamide
CID 51116604
ethyl 2-[[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]amino]benzoate
CID 108501776
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-N'-(2-methoxyphenyl)oxamide
CID 42389893

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide (CID 2291374) is N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide is O=C(NCCCN1CCOCC1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is PCIGNGHTQQAOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c16-12-4-1-2-5-13(12)18-15(21)14(20)17-6-3-7-19-8-10-22-11-9-19/h1-2,4-5H,3,6-11H2,(H,17,20)(H,18,21).
What are the key properties of N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide?
N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 325.80 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 2291374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).