N,N-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]acetamide

C26H40N2O — CID 67447227

IUPACN,N-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1c(C(C)C)cccc1C(C)C.CC(C)N(c1ccccc1)C(C)C
InChIInChI=1S/C14H21NO.C12H19N/c1-9(2)12-7-6-8-13(10(3)4)14(12)15-11(5)16;1-10(2)13(11(3)4)12-8-6-5-7-9-12/h6-10H,1-5H3,(H,15,16);5-11H,1-4H3
InChIKeyRDNDGCLMMJJSJD-UHFFFAOYSA-N
MW396.62 g/mol
LogP7.20
Rot. Bonds6

About N,N-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]acetamide

N,N-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 67447227) has the molecular formula C26H40N2O and a molecular weight of 396.62 g/mol. Its IUPAC name is N,N-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID67447227
Molecular FormulaC26H40N2O
Molecular Weight396.62 g/mol
Exact Mass396.31
IUPAC NameN,N-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1c(C(C)C)cccc1C(C)C.CC(C)N(c1ccccc1)C(C)C
InChIInChI=1S/C14H21NO.C12H19N/c1-9(2)12-7-6-8-13(10(3)4)14(12)15-11(5)16;1-10(2)13(11(3)4)12-8-6-5-7-9-12/h6-10H,1-5H3,(H,15,16);5-11H,1-4H3
InChIKeyRDNDGCLMMJJSJD-UHFFFAOYSA-N
XLogP7.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.62
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide
CID 175991462
3-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-1-(2-methylphenyl)-1-phenylurea
CID 19874853
(2S)-N-[2,6-di(propan-2-yl)phenyl]-2-phenoxypropanamide
CID 8779154
2-[acetyl(propan-2-yl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113158268
N-[2,6-di(propan-2-yl)phenyl]acetamide;N-[4-nitro-2,6-di(propan-2-yl)phenyl]acetamide
CID 158896077
N-(2-nitro-6-propan-2-ylphenyl)acetamide
CID 45074590
[(E)-2-[2,6-di(propan-2-yl)anilino]prop-1-enyl]-triphenylphosphanium
CID 87626126
N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide
CID 4877514
1-[2,6-di(propan-2-yl)phenyl]-3-sulfanylurea
CID 142150395

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of N,N-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]acetamide (CID 67447227) is N,N-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for N,N-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for N,N-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]acetamide is CC(=O)Nc1c(C(C)C)cccc1C(C)C.CC(C)N(c1ccccc1)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is RDNDGCLMMJJSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO.C12H19N/c1-9(2)12-7-6-8-13(10(3)4)14(12)15-11(5)16;1-10(2)13(11(3)4)12-8-6-5-7-9-12/h6-10H,1-5H3,(H,15,16);5-11H,1-4H3.
What are the key properties of N,N-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]acetamide?
N,N-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 396.62 g/mol, XLogP of 7.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 67447227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).