2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N,N-dipropylacetamide

C22H36N2O2 — CID 113178595

IUPAC2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(C(C)=O)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C22H36N2O2/c1-8-13-23(14-9-2)21(26)15-24(18(7)25)22-19(16(3)4)11-10-12-20(22)17(5)6/h10-12,16-17H,8-9,13-15H2,1-7H3
InChIKeyCUIGMAVEENKOCJ-UHFFFAOYSA-N
MW360.54 g/mol
LogP4.93
Rot. Bonds9

About 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N,N-dipropylacetamide

2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N,N-dipropylacetamide (PubChem CID 113178595) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N,N-dipropylacetamide
PubChem CID113178595
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Name2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(C(C)=O)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C22H36N2O2/c1-8-13-23(14-9-2)21(26)15-24(18(7)25)22-19(16(3)4)11-10-12-20(22)17(5)6/h10-12,16-17H,8-9,13-15H2,1-7H3
InChIKeyCUIGMAVEENKOCJ-UHFFFAOYSA-N
XLogP4.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-2-methyl-6-propan-2-ylanilino)-N,N-diethylacetamide
CID 113170295
2-(N-acetyl-3-methylanilino)-N,N-dipropylacetamide
CID 113167538
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-tert-butylacetamide
CID 113178588
N-[2,6-di(propan-2-yl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113178550
N-[2-[N-acetyl-2,6-di(propan-2-yl)anilino]ethyl]pentanamide
CID 113063100
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-[4-(dimethylamino)phenyl]acetamide
CID 113178618
2-[N-acetyl-4-(diethylamino)anilino]-N,N-dipropylacetamide
CID 113176880
2-(N-acetyl-4-chloroanilino)-N,N-dipropylacetamide
CID 113171553
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(4-acetylphenyl)acetamide
CID 113178617
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(3-chlorophenyl)acetamide
CID 113178608
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113170254
3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(2-cyanophenyl)propanamide
CID 113133155

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N,N-dipropylacetamide?
The IUPAC name of 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N,N-dipropylacetamide (CID 113178595) is 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N,N-dipropylacetamide?
The canonical SMILES for 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CN(C(C)=O)c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N,N-dipropylacetamide?
The InChIKey is CUIGMAVEENKOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-8-13-23(14-9-2)21(26)15-24(18(7)25)22-19(16(3)4)11-10-12-20(22)17(5)6/h10-12,16-17H,8-9,13-15H2,1-7H3.
What are the key properties of 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N,N-dipropylacetamide?
2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N,N-dipropylacetamide has a molecular weight of 360.54 g/mol, XLogP of 4.93, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-2,6-di(propan-2-yl)anilino]-N,N-dipropylacetamide is sourced from PubChem (CID 113178595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).