N-[(4-methylphenyl)methyl]-N'-propan-2-yloxamide

C13H18N2O2 — CID 2271421

IUPACN-[(4-methylphenyl)methyl]-N'-propan-2-yloxamide
SMILESCc1ccc(CNC(=O)C(=O)NC(C)C)cc1
InChIInChI=1S/C13H18N2O2/c1-9(2)15-13(17)12(16)14-8-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyXZZHYIHXYUQQQY-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.14
Rot. Bonds3

About N-[(4-methylphenyl)methyl]-N'-propan-2-yloxamide

N-[(4-methylphenyl)methyl]-N'-propan-2-yloxamide (PubChem CID 2271421) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-N'-propan-2-yloxamide
PubChem CID2271421
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(4-methylphenyl)methyl]-N'-propan-2-yloxamide
SMILESCc1ccc(CNC(=O)C(=O)NC(C)C)cc1
InChIInChI=1S/C13H18N2O2/c1-9(2)15-13(17)12(16)14-8-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyXZZHYIHXYUQQQY-UHFFFAOYSA-N
XLogP1.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.14
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-fluorophenyl)methyl]-N'-propan-2-yloxamide
CID 44996874
N-[(4-methylphenyl)methyl]-N'-(2-methylpropyl)oxamide
CID 2274015
N-ethyl-N'-[(4-methylphenyl)methyl]oxamide
CID 2291435
N'-[1-(4-methoxyphenyl)ethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108510275
N'-[(4-methylphenyl)methyl]-N-(3-propan-2-yloxypropyl)oxamide
CID 3126766
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
CID 17248838
(2S)-2-[(4-methylphenyl)methylcarbamoylamino]propanoic acid
CID 5423731
N'-(1-hydroxy-2-methylpropan-2-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 44995791
3-[(4-methylphenyl)methylcarbamoylamino]butanoic acid
CID 61189759
N-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60853234
2,2-dichloro-N-[(4-methylphenyl)methyl]acetamide
CID 3659173

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-N'-propan-2-yloxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-N'-propan-2-yloxamide (CID 2271421) is N-[(4-methylphenyl)methyl]-N'-propan-2-yloxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-N'-propan-2-yloxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-N'-propan-2-yloxamide is Cc1ccc(CNC(=O)C(=O)NC(C)C)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-N'-propan-2-yloxamide?
The InChIKey is XZZHYIHXYUQQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(2)15-13(17)12(16)14-8-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of N-[(4-methylphenyl)methyl]-N'-propan-2-yloxamide?
N-[(4-methylphenyl)methyl]-N'-propan-2-yloxamide has a molecular weight of 234.30 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-N'-propan-2-yloxamide is sourced from PubChem (CID 2271421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).