N'-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]oxamide

C14H20N2O2 — CID 115192179

IUPACN'-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]oxamide
SMILESCC(C)c1ccc(CCN(C)C(=O)C(N)=O)cc1
InChIInChI=1S/C14H20N2O2/c1-10(2)12-6-4-11(5-7-12)8-9-16(3)14(18)13(15)17/h4-7,10H,8-9H2,1-3H3,(H2,15,17)
InChIKeyWHUBWTTWVNUDCW-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.30
Rot. Bonds4

About N'-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]oxamide

N'-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]oxamide (PubChem CID 115192179) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N'-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]oxamide
PubChem CID115192179
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN'-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]oxamide
SMILESCC(C)c1ccc(CCN(C)C(=O)C(N)=O)cc1
InChIInChI=1S/C14H20N2O2/c1-10(2)12-6-4-11(5-7-12)8-9-16(3)14(18)13(15)17/h4-7,10H,8-9H2,1-3H3,(H2,15,17)
InChIKeyWHUBWTTWVNUDCW-UHFFFAOYSA-N
XLogP1.30
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea
CID 115168591
3-amino-2-hydroxy-N-methyl-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 115180822
ethane;3-(4-propan-2-ylphenyl)propanamide
CID 142410323
N-(3-amino-3-oxopropyl)-N-methyl-4-propan-2-ylbenzamide
CID 166591542
1-[2-(4-ethylphenyl)ethyl]-1-methylurea
CID 115168590
N-methyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 60631160
N-[2-(4-butan-2-ylphenyl)ethyl]-N-methylcarbamoyl bromide
CID 115194057
2-(4-butan-2-ylphenyl)ethyl-methylcarbamothioic S-acid
CID 115170394
N,N-diethyl-2-(4-propan-2-ylphenyl)ethanamine
CID 138483696
N'-[2-(3H-benzimidazol-5-yl)ethyl]-N'-methyloxamide
CID 115192241
1-amino-4-(4-propan-2-ylphenyl)butan-2-one
CID 95439232
2-hydroxyethyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 79345773

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]oxamide?
The IUPAC name of N'-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]oxamide (CID 115192179) is N'-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]oxamide.
What is the SMILES notation for N'-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]oxamide?
The canonical SMILES for N'-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]oxamide is CC(C)c1ccc(CCN(C)C(=O)C(N)=O)cc1.
What is the InChIKey of N'-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]oxamide?
The InChIKey is WHUBWTTWVNUDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)12-6-4-11(5-7-12)8-9-16(3)14(18)13(15)17/h4-7,10H,8-9H2,1-3H3,(H2,15,17).
What are the key properties of N'-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]oxamide?
N'-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]oxamide has a molecular weight of 248.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[2-(4-propan-2-ylphenyl)ethyl]oxamide is sourced from PubChem (CID 115192179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).