N'-(5-chloro-2-methylphenyl)-N-[3-(diethylamino)propyl]oxamide

C16H24ClN3O2 — CID 108511778

IUPACN'-(5-chloro-2-methylphenyl)-N-[3-(diethylamino)propyl]oxamide
SMILESCCN(CC)CCCNC(=O)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C16H24ClN3O2/c1-4-20(5-2)10-6-9-18-15(21)16(22)19-14-11-13(17)8-7-12(14)3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyKJCQQFQRPUKSCT-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.44
Rot. Bonds7

About N'-(5-chloro-2-methylphenyl)-N-[3-(diethylamino)propyl]oxamide

N'-(5-chloro-2-methylphenyl)-N-[3-(diethylamino)propyl]oxamide (PubChem CID 108511778) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N'-(5-chloro-2-methylphenyl)-N-[3-(diethylamino)propyl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methylphenyl)-N-[3-(diethylamino)propyl]oxamide
PubChem CID108511778
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN'-(5-chloro-2-methylphenyl)-N-[3-(diethylamino)propyl]oxamide
SMILESCCN(CC)CCCNC(=O)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C16H24ClN3O2/c1-4-20(5-2)10-6-9-18-15(21)16(22)19-14-11-13(17)8-7-12(14)3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyKJCQQFQRPUKSCT-UHFFFAOYSA-N
XLogP2.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(5-chloro-2-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115573461
N'-(4-chloro-2-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 47225106
N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337573
N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide
CID 2218014
1-(5-chloro-2-methoxyphenyl)-3-[3-(diethylamino)propyl]urea
CID 108875528
N'-(5-chloro-2-methylphenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide
CID 48894697
N'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide
CID 2876297
2,5-dichloro-N-[3-(diethylamino)propyl]benzamide
CID 2165306
N'-(5-chloro-2-methylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503009
N-butyl-N'-(4-chloro-2-fluorophenyl)oxamide
CID 44999475
N'-(2,5-dichlorophenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108501046
N-[3-(diethylamino)propyl]-N'-(4-ethylphenyl)oxamide
CID 108522284

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methylphenyl)-N-[3-(diethylamino)propyl]oxamide?
The IUPAC name of N'-(5-chloro-2-methylphenyl)-N-[3-(diethylamino)propyl]oxamide (CID 108511778) is N'-(5-chloro-2-methylphenyl)-N-[3-(diethylamino)propyl]oxamide.
What is the SMILES notation for N'-(5-chloro-2-methylphenyl)-N-[3-(diethylamino)propyl]oxamide?
The canonical SMILES for N'-(5-chloro-2-methylphenyl)-N-[3-(diethylamino)propyl]oxamide is CCN(CC)CCCNC(=O)C(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of N'-(5-chloro-2-methylphenyl)-N-[3-(diethylamino)propyl]oxamide?
The InChIKey is KJCQQFQRPUKSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-4-20(5-2)10-6-9-18-15(21)16(22)19-14-11-13(17)8-7-12(14)3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N'-(5-chloro-2-methylphenyl)-N-[3-(diethylamino)propyl]oxamide?
N'-(5-chloro-2-methylphenyl)-N-[3-(diethylamino)propyl]oxamide has a molecular weight of 325.84 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methylphenyl)-N-[3-(diethylamino)propyl]oxamide is sourced from PubChem (CID 108511778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).