N-(2-butan-2-ylphenyl)-N'-cyclohexyl-N'-methyloxamide

C19H28N2O2 — CID 108503858

IUPACN-(2-butan-2-ylphenyl)-N'-cyclohexyl-N'-methyloxamide
SMILESCCC(C)c1ccccc1NC(=O)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C19H28N2O2/c1-4-14(2)16-12-8-9-13-17(16)20-18(22)19(23)21(3)15-10-6-5-7-11-15/h8-9,12-15H,4-7,10-11H2,1-3H3,(H,20,22)
InChIKeyIPRGTKBBRBLUBK-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.93
Rot. Bonds4

About N-(2-butan-2-ylphenyl)-N'-cyclohexyl-N'-methyloxamide

N-(2-butan-2-ylphenyl)-N'-cyclohexyl-N'-methyloxamide (PubChem CID 108503858) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-N'-cyclohexyl-N'-methyloxamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-N'-cyclohexyl-N'-methyloxamide
PubChem CID108503858
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-(2-butan-2-ylphenyl)-N'-cyclohexyl-N'-methyloxamide
SMILESCCC(C)c1ccccc1NC(=O)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C19H28N2O2/c1-4-14(2)16-12-8-9-13-17(16)20-18(22)19(23)21(3)15-10-6-5-7-11-15/h8-9,12-15H,4-7,10-11H2,1-3H3,(H,20,22)
InChIKeyIPRGTKBBRBLUBK-UHFFFAOYSA-N
XLogP3.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.93
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

(Z)-3-(2-butan-2-ylanilino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830512
N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide
CID 9497565
3-(2-butan-2-ylphenyl)-1,1-dimethylurea
CID 2974418
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N'-cyclohexyl-N-(2,4-difluorophenyl)-N'-methyloxamide
CID 108503869
N-cyclohexyl-N-methyl-2-(2-propan-2-ylanilino)acetamide
CID 54823199
N'-(2-butan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108532679
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
ethyl 2-(2-butan-2-ylanilino)-2-oxoacetate
CID 3687050
N-(2-butan-2-ylphenyl)-N'-(2,3-dimethylphenyl)oxamide
CID 108515395
(2S)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]propanamide
CID 11923114
N-(2-butan-2-ylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide
CID 108509432

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-N'-cyclohexyl-N'-methyloxamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-N'-cyclohexyl-N'-methyloxamide (CID 108503858) is N-(2-butan-2-ylphenyl)-N'-cyclohexyl-N'-methyloxamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-N'-cyclohexyl-N'-methyloxamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-N'-cyclohexyl-N'-methyloxamide is CCC(C)c1ccccc1NC(=O)C(=O)N(C)C1CCCCC1.
What is the InChIKey of N-(2-butan-2-ylphenyl)-N'-cyclohexyl-N'-methyloxamide?
The InChIKey is IPRGTKBBRBLUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-14(2)16-12-8-9-13-17(16)20-18(22)19(23)21(3)15-10-6-5-7-11-15/h8-9,12-15H,4-7,10-11H2,1-3H3,(H,20,22).
What are the key properties of N-(2-butan-2-ylphenyl)-N'-cyclohexyl-N'-methyloxamide?
N-(2-butan-2-ylphenyl)-N'-cyclohexyl-N'-methyloxamide has a molecular weight of 316.44 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-N'-cyclohexyl-N'-methyloxamide is sourced from PubChem (CID 108503858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).