N-[2-(2,4-dimethylphenyl)ethyl]-N'-(2-methyl-4-pyridinyl)oxamide

C18H21N3O2 — CID 154766880

IUPACN-[2-(2,4-dimethylphenyl)ethyl]-N'-(2-methyl-4-pyridinyl)oxamide
SMILESCc1ccc(CCNC(=O)C(=O)Nc2ccnc(C)c2)c(C)c1
InChIInChI=1S/C18H21N3O2/c1-12-4-5-15(13(2)10-12)6-8-20-17(22)18(23)21-16-7-9-19-14(3)11-16/h4-5,7,9-11H,6,8H2,1-3H3,(H,20,22)(H,19,21,23)
InChIKeyHCJJNRPBGQRVQI-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.30
Rot. Bonds4

About N-[2-(2,4-dimethylphenyl)ethyl]-N'-(2-methyl-4-pyridinyl)oxamide

N-[2-(2,4-dimethylphenyl)ethyl]-N'-(2-methyl-4-pyridinyl)oxamide (PubChem CID 154766880) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenyl)ethyl]-N'-(2-methyl-4-pyridinyl)oxamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenyl)ethyl]-N'-(2-methyl-4-pyridinyl)oxamide
PubChem CID154766880
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[2-(2,4-dimethylphenyl)ethyl]-N'-(2-methyl-4-pyridinyl)oxamide
SMILESCc1ccc(CCNC(=O)C(=O)Nc2ccnc(C)c2)c(C)c1
InChIInChI=1S/C18H21N3O2/c1-12-4-5-15(13(2)10-12)6-8-20-17(22)18(23)21-16-7-9-19-14(3)11-16/h4-5,7,9-11H,6,8H2,1-3H3,(H,20,22)(H,19,21,23)
InChIKeyHCJJNRPBGQRVQI-UHFFFAOYSA-N
XLogP2.30
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenyl)ethyl]-N'-(2-methyl-4-pyridinyl)oxamide?
The IUPAC name of N-[2-(2,4-dimethylphenyl)ethyl]-N'-(2-methyl-4-pyridinyl)oxamide (CID 154766880) is N-[2-(2,4-dimethylphenyl)ethyl]-N'-(2-methyl-4-pyridinyl)oxamide.
What is the SMILES notation for N-[2-(2,4-dimethylphenyl)ethyl]-N'-(2-methyl-4-pyridinyl)oxamide?
The canonical SMILES for N-[2-(2,4-dimethylphenyl)ethyl]-N'-(2-methyl-4-pyridinyl)oxamide is Cc1ccc(CCNC(=O)C(=O)Nc2ccnc(C)c2)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenyl)ethyl]-N'-(2-methyl-4-pyridinyl)oxamide?
The InChIKey is HCJJNRPBGQRVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-4-5-15(13(2)10-12)6-8-20-17(22)18(23)21-16-7-9-19-14(3)11-16/h4-5,7,9-11H,6,8H2,1-3H3,(H,20,22)(H,19,21,23).
What are the key properties of N-[2-(2,4-dimethylphenyl)ethyl]-N'-(2-methyl-4-pyridinyl)oxamide?
N-[2-(2,4-dimethylphenyl)ethyl]-N'-(2-methyl-4-pyridinyl)oxamide has a molecular weight of 311.39 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenyl)ethyl]-N'-(2-methyl-4-pyridinyl)oxamide is sourced from PubChem (CID 154766880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).