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

C16H23ClN2O3 — CID 2179954

IUPACN'-[2-(4-chlorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide
SMILESCC(C)OCCCNC(=O)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O3/c1-12(2)22-11-3-9-18-15(20)16(21)19-10-8-13-4-6-14(17)7-5-13/h4-7,12H,3,8-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeySVWZHALGWYNNNT-UHFFFAOYSA-N
MW326.82 g/mol
LogP1.93
Rot. Bonds8

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

N'-[2-(4-chlorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide (PubChem CID 2179954) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is N'-[2-(4-chlorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide.

Molecular Properties

Compound NameN'-[2-(4-chlorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide
PubChem CID2179954
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC NameN'-[2-(4-chlorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide
SMILESCC(C)OCCCNC(=O)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O3/c1-12(2)22-11-3-9-18-15(20)16(21)19-10-8-13-4-6-14(17)7-5-13/h4-7,12H,3,8-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeySVWZHALGWYNNNT-UHFFFAOYSA-N
XLogP1.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 51.93
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-chlorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide?
The IUPAC name of N'-[2-(4-chlorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide (CID 2179954) is N'-[2-(4-chlorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide.
What is the SMILES notation for N'-[2-(4-chlorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide?
The canonical SMILES for N'-[2-(4-chlorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide is CC(C)OCCCNC(=O)C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N'-[2-(4-chlorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide?
The InChIKey is SVWZHALGWYNNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3/c1-12(2)22-11-3-9-18-15(20)16(21)19-10-8-13-4-6-14(17)7-5-13/h4-7,12H,3,8-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-[2-(4-chlorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide?
N'-[2-(4-chlorophenyl)ethyl]-N-(3-propan-2-yloxypropyl)oxamide has a molecular weight of 326.82 g/mol, XLogP of 1.93, 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-propan-2-yloxypropyl)oxamide is sourced from PubChem (CID 2179954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).