N'-[2-(4-chlorophenyl)ethyl]-N-(3-ethoxypropyl)oxamide

C15H21ClN2O3 — CID 125144861

IUPACN'-[2-(4-chlorophenyl)ethyl]-N-(3-ethoxypropyl)oxamide
SMILESCCOCCCNC(=O)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3/c1-2-21-11-3-9-17-14(19)15(20)18-10-8-12-4-6-13(16)7-5-12/h4-7H,2-3,8-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyANHRJOKPFLDHGB-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.54
Rot. Bonds8

About N'-[2-(4-chlorophenyl)ethyl]-N-(3-ethoxypropyl)oxamide

N'-[2-(4-chlorophenyl)ethyl]-N-(3-ethoxypropyl)oxamide (PubChem CID 125144861) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)ethyl]-N-(3-ethoxypropyl)oxamide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)ethyl]-N-(3-ethoxypropyl)oxamide
PubChem CID125144861
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN'-[2-(4-chlorophenyl)ethyl]-N-(3-ethoxypropyl)oxamide
SMILESCCOCCCNC(=O)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H21ClN2O3/c1-2-21-11-3-9-17-14(19)15(20)18-10-8-12-4-6-13(16)7-5-12/h4-7H,2-3,8-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyANHRJOKPFLDHGB-UHFFFAOYSA-N
XLogP1.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.54
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'-[(4-chlorophenyl)methyl]-N-(3-ethoxypropyl)oxamide
CID 21369940
N-(3-ethoxypropyl)-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 108505219
1-[2-(4-chlorophenyl)ethyl]-3-(4-ethoxybutyl)-2-methylguanidine;hydroiodide
CID 111196507
N-(3-ethoxypropyl)-N'-[(4-methylphenyl)methyl]oxamide
CID 2209969
1-[2-(4-chlorophenyl)ethyl]-2-(3-ethoxypropyl)guanidine;hydroiodide
CID 111024774
N'-benzyl-N-(3-ethoxypropyl)oxamide
CID 21369938
N-(3-ethoxypropyl)-N'-[(4-methoxyphenyl)methyl]oxamide
CID 21369943
N-[2-(4-chlorophenyl)ethyl]-N'-(cyanomethyl)oxamide
CID 61380619
N-(3-ethoxypropyl)-3-(4-ethylphenyl)propanamide
CID 78794718
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

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)ethyl]-N-(3-ethoxypropyl)oxamide?
The IUPAC name of N'-[2-(4-chlorophenyl)ethyl]-N-(3-ethoxypropyl)oxamide (CID 125144861) is N'-[2-(4-chlorophenyl)ethyl]-N-(3-ethoxypropyl)oxamide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)ethyl]-N-(3-ethoxypropyl)oxamide?
The canonical SMILES for N'-[2-(4-chlorophenyl)ethyl]-N-(3-ethoxypropyl)oxamide is CCOCCCNC(=O)C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)ethyl]-N-(3-ethoxypropyl)oxamide?
The InChIKey is ANHRJOKPFLDHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-2-21-11-3-9-17-14(19)15(20)18-10-8-12-4-6-13(16)7-5-12/h4-7H,2-3,8-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-[2-(4-chlorophenyl)ethyl]-N-(3-ethoxypropyl)oxamide?
N'-[2-(4-chlorophenyl)ethyl]-N-(3-ethoxypropyl)oxamide has a molecular weight of 312.80 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-chlorophenyl)ethyl]-N-(3-ethoxypropyl)oxamide is sourced from PubChem (CID 125144861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).