N'-[1-(4-methylphenyl)ethyl]oxamide

C11H14N2O2 — CID 69272528

IUPACN'-[1-(4-methylphenyl)ethyl]oxamide
SMILESCc1ccc(C(C)NC(=O)C(N)=O)cc1
InChIInChI=1S/C11H14N2O2/c1-7-3-5-9(6-4-7)8(2)13-11(15)10(12)14/h3-6,8H,1-2H3,(H2,12,14)(H,13,15)
InChIKeyHWDQJQOQZMATIL-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.66
Rot. Bonds2

About N'-[1-(4-methylphenyl)ethyl]oxamide

N'-[1-(4-methylphenyl)ethyl]oxamide (PubChem CID 69272528) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is N'-[1-(4-methylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[1-(4-methylphenyl)ethyl]oxamide
PubChem CID69272528
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC NameN'-[1-(4-methylphenyl)ethyl]oxamide
SMILESCc1ccc(C(C)NC(=O)C(N)=O)cc1
InChIInChI=1S/C11H14N2O2/c1-7-3-5-9(6-4-7)8(2)13-11(15)10(12)14/h3-6,8H,1-2H3,(H2,12,14)(H,13,15)
InChIKeyHWDQJQOQZMATIL-UHFFFAOYSA-N
XLogP0.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.66
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

(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129
(2R)-2-amino-3-methyl-N-[1-(4-methylphenyl)ethyl]butanamide
CID 79012258
(2R)-2-amino-3-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 81357169
2-amino-3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
CID 81356918
3-amino-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 81356180
1-(4-aminophenyl)ethylurea
CID 43298080
N-carbamoyl-2-[1-(4-methylphenyl)ethylamino]propanamide
CID 47320879
2-hydroxyethyl N-[(1R)-1-(4-methylphenyl)ethyl]carbamate
CID 81357175
2-(4-methylphenyl)-2-oxo-N-(1-phenylethyl)acetamide
CID 47121155
(2S)-2-amino-3,3-dimethyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 81356570
1-carbamothioyl-N-[1-(4-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 80590171
ethyl 3-[[(1S)-1-(4-methylphenyl)ethyl]amino]butanoate
CID 81356889

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-methylphenyl)ethyl]oxamide?
The IUPAC name of N'-[1-(4-methylphenyl)ethyl]oxamide (CID 69272528) is N'-[1-(4-methylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-[1-(4-methylphenyl)ethyl]oxamide?
The canonical SMILES for N'-[1-(4-methylphenyl)ethyl]oxamide is Cc1ccc(C(C)NC(=O)C(N)=O)cc1.
What is the InChIKey of N'-[1-(4-methylphenyl)ethyl]oxamide?
The InChIKey is HWDQJQOQZMATIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7-3-5-9(6-4-7)8(2)13-11(15)10(12)14/h3-6,8H,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of N'-[1-(4-methylphenyl)ethyl]oxamide?
N'-[1-(4-methylphenyl)ethyl]oxamide has a molecular weight of 206.24 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-methylphenyl)ethyl]oxamide is sourced from PubChem (CID 69272528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).