N-ethyl-N'-[(4-methylphenyl)methyl]oxamide

C12H16N2O2 — CID 2291435

IUPACN-ethyl-N'-[(4-methylphenyl)methyl]oxamide
SMILESCCNC(=O)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C12H16N2O2/c1-3-13-11(15)12(16)14-8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyDGNALHNIUXELFU-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.75
Rot. Bonds3

About N-ethyl-N'-[(4-methylphenyl)methyl]oxamide

N-ethyl-N'-[(4-methylphenyl)methyl]oxamide (PubChem CID 2291435) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-ethyl-N'-[(4-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-ethyl-N'-[(4-methylphenyl)methyl]oxamide
PubChem CID2291435
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-ethyl-N'-[(4-methylphenyl)methyl]oxamide
SMILESCCNC(=O)C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C12H16N2O2/c1-3-13-11(15)12(16)14-8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyDGNALHNIUXELFU-UHFFFAOYSA-N
XLogP0.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
N-[(4-methylphenyl)methyl]-N'-propan-2-yloxamide
CID 2271421
N-[(4-methylphenyl)methyl]-N'-(2-methylpropyl)oxamide
CID 2274015
2-(ethylamino)-2-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 62831732
N-[(4-methylphenyl)methyl]butanamide
CID 835678
1,1-dibutyl-3-[(4-methylphenyl)methyl]urea
CID 108899090
N'-(1-hydroxy-2-methylpropan-2-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 44995791
N-(3-ethoxypropyl)-N'-[(4-methylphenyl)methyl]oxamide
CID 2209969
N'-[[3-(aminomethyl)phenyl]methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108518093
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830
N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2188176
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(4-methylphenyl)methyl]oxamide?
The IUPAC name of N-ethyl-N'-[(4-methylphenyl)methyl]oxamide (CID 2291435) is N-ethyl-N'-[(4-methylphenyl)methyl]oxamide.
What is the SMILES notation for N-ethyl-N'-[(4-methylphenyl)methyl]oxamide?
The canonical SMILES for N-ethyl-N'-[(4-methylphenyl)methyl]oxamide is CCNC(=O)C(=O)NCc1ccc(C)cc1.
What is the InChIKey of N-ethyl-N'-[(4-methylphenyl)methyl]oxamide?
The InChIKey is DGNALHNIUXELFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-13-11(15)12(16)14-8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-ethyl-N'-[(4-methylphenyl)methyl]oxamide?
N-ethyl-N'-[(4-methylphenyl)methyl]oxamide has a molecular weight of 220.27 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(4-methylphenyl)methyl]oxamide is sourced from PubChem (CID 2291435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).