N'-[(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide

C16H20Cl2N4O3 — CID 3128229

IUPACN'-[(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)NN=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H20Cl2N4O3/c17-13-3-1-4-14(18)12(13)11-20-21-16(24)15(23)19-5-2-6-22-7-9-25-10-8-22/h1,3-4,11H,2,5-10H2,(H,19,23)(H,21,24)
InChIKeyWMLKTVVJJSAFQD-UHFFFAOYSA-N
MW387.27 g/mol
LogP1.28
Rot. Bonds6

About N'-[(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide

N'-[(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide (PubChem CID 3128229) has the molecular formula C16H20Cl2N4O3 and a molecular weight of 387.27 g/mol. Its IUPAC name is N'-[(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
PubChem CID3128229
Molecular FormulaC16H20Cl2N4O3
Molecular Weight387.27 g/mol
Exact Mass386.09
IUPAC NameN'-[(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
SMILESO=C(NCCCN1CCOCC1)C(=O)NN=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C16H20Cl2N4O3/c17-13-3-1-4-14(18)12(13)11-20-21-16(24)15(23)19-5-2-6-22-7-9-25-10-8-22/h1,3-4,11H,2,5-10H2,(H,19,23)(H,21,24)
InChIKeyWMLKTVVJJSAFQD-UHFFFAOYSA-N
XLogP1.28
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-morpholin-4-ylpropyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 126182261
N'-(2-chlorophenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291374
(E)-3-(2,6-dichlorophenyl)-N-(4-morpholin-4-ylbutyl)prop-2-enamide
CID 51116604
1-[(Z)-(2,6-difluorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9411568
N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
CID 126261566
N'-[(2,6-dichlorophenyl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 4270440
1-[(Z)-(3,4-dichlorophenyl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 9411374
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 51155960
N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291523
N'-[(Z)-(4-ethylphenyl)methylideneamino]-N-(2-morpholin-4-ylethyl)oxamide
CID 94848692
N'-[(4-butoxyphenyl)methylideneamino]-N-(2-morpholin-4-ylethyl)oxamide
CID 5171028
3-[[2-[2-[(3,5-dichloro-4-pyridinyl)methylidene]hydrazinyl]-2-oxoethyl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 73226716

Frequently Asked Questions

What is the IUPAC name of N'-[(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The IUPAC name of N'-[(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide (CID 3128229) is N'-[(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide.
What is the SMILES notation for N'-[(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The canonical SMILES for N'-[(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide is O=C(NCCCN1CCOCC1)C(=O)NN=Cc1c(Cl)cccc1Cl.
What is the InChIKey of N'-[(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
The InChIKey is WMLKTVVJJSAFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N4O3/c17-13-3-1-4-14(18)12(13)11-20-21-16(24)15(23)19-5-2-6-22-7-9-25-10-8-22/h1,3-4,11H,2,5-10H2,(H,19,23)(H,21,24).
What are the key properties of N'-[(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide?
N'-[(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide has a molecular weight of 387.27 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,6-dichlorophenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide is sourced from PubChem (CID 3128229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).