N'-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)oxamide

C14H19ClN2O3 — CID 21369940

IUPACN'-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)oxamide
SMILESCCOCCCNC(=O)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O3/c1-2-20-9-3-8-16-13(18)14(19)17-10-11-4-6-12(15)7-5-11/h4-7H,2-3,8-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyQJSJRVXXAXLBFD-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.50
Rot. Bonds7

About N'-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)oxamide

N'-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)oxamide (PubChem CID 21369940) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)oxamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)oxamide
PubChem CID21369940
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC NameN'-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)oxamide
SMILESCCOCCCNC(=O)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O3/c1-2-20-9-3-8-16-13(18)14(19)17-10-11-4-6-12(15)7-5-11/h4-7H,2-3,8-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyQJSJRVXXAXLBFD-UHFFFAOYSA-N
XLogP1.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.50
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'-[2-(4-chlorophenyl)ethyl]-N-(3-ethoxypropyl)oxamide
CID 125144861
N-(3-ethoxypropyl)-N'-[(4-methylphenyl)methyl]oxamide
CID 2209969
N'-benzyl-N-(3-ethoxypropyl)oxamide
CID 21369938
N-(3-ethoxypropyl)-N'-[(4-methoxyphenyl)methyl]oxamide
CID 21369943
N'-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)propyl]oxamide
CID 44995823
N-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 108505219
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(3-ethoxypropyl)oxamide
CID 108505353
1-[(E)-2-(4-chlorophenyl)ethenyl]-3-(3-ethoxypropyl)urea
CID 108908330
4-(4-chlorophenyl)-N-(3-ethoxypropyl)piperazine-1-carboxamide
CID 17171276
N'-(2,6-difluorophenyl)-N-(3-ethoxypropyl)oxamide
CID 47225872
1-(4-chlorophenyl)-5-ethoxypentan-2-one
CID 105078038
N'-(2-acetamidoethyl)-N-(3-ethoxypropyl)oxamide
CID 108505337

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)oxamide?
The IUPAC name of N'-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)oxamide (CID 21369940) is N'-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)oxamide.
What is the SMILES notation for N'-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)oxamide?
The canonical SMILES for N'-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)oxamide is CCOCCCNC(=O)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N'-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)oxamide?
The InChIKey is QJSJRVXXAXLBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-2-20-9-3-8-16-13(18)14(19)17-10-11-4-6-12(15)7-5-11/h4-7H,2-3,8-10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)oxamide?
N'-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)oxamide has a molecular weight of 298.77 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)oxamide is sourced from PubChem (CID 21369940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).