N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide

C18H28N2O2 — CID 113000636

IUPACN-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C18H28N2O2/c1-11(2)14-8-7-9-15(12(3)4)17(14)20-16(21)10-19-18(22)13(5)6/h7-9,11-13H,10H2,1-6H3,(H,19,22)(H,20,21)
InChIKeyBPBHDQXIXKDGSD-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.64
Rot. Bonds6

About N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide

N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide (PubChem CID 113000636) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide
PubChem CID113000636
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C18H28N2O2/c1-11(2)14-8-7-9-15(12(3)4)17(14)20-16(21)10-19-18(22)13(5)6/h7-9,11-13H,10H2,1-6H3,(H,19,22)(H,20,21)
InChIKeyBPBHDQXIXKDGSD-UHFFFAOYSA-N
XLogP3.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]butanamide
CID 113000635
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113000660
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide
CID 4877514
N-[2,6-di(propan-2-yl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 49381870
N-[2,6-di(propan-2-yl)phenyl]-2-[(2-fluorophenyl)methylamino]acetamide;oxalic acid
CID 15945258
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyphenyl)acetamide
CID 4793295
N'-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]propanediamide
CID 108951516
2-[acetyl(propan-2-yl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113158268
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 8983016

Frequently Asked Questions

What is the IUPAC name of N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide (CID 113000636) is N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide is CC(C)C(=O)NCC(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide?
The InChIKey is BPBHDQXIXKDGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-11(2)14-8-7-9-15(12(3)4)17(14)20-16(21)10-19-18(22)13(5)6/h7-9,11-13H,10H2,1-6H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide?
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide has a molecular weight of 304.43 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide is sourced from PubChem (CID 113000636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).