N-[4-(diethylamino)phenyl]-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide

C23H31N3O2 — CID 108968103

IUPACN-[4-(diethylamino)phenyl]-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide
SMILESCCN(CC)c1ccc(NC(=O)C(C)(C)C(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C23H31N3O2/c1-7-26(8-2)19-14-12-18(13-15-19)24-21(27)23(5,6)22(28)25-20-16(3)10-9-11-17(20)4/h9-15H,7-8H2,1-6H3,(H,24,27)(H,25,28)
InChIKeyJKHUMDALUJUVPR-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.75
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide

N-[4-(diethylamino)phenyl]-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide (PubChem CID 108968103) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide
PubChem CID108968103
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[4-(diethylamino)phenyl]-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide
SMILESCCN(CC)c1ccc(NC(=O)C(C)(C)C(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C23H31N3O2/c1-7-26(8-2)19-14-12-18(13-15-19)24-21(27)23(5,6)22(28)25-20-16(3)10-9-11-17(20)4/h9-15H,7-8H2,1-6H3,(H,24,27)(H,25,28)
InChIKeyJKHUMDALUJUVPR-UHFFFAOYSA-N
XLogP4.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylphenyl)-N'-(3,5-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108967996
2-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 109007808
N-(3,4-difluorophenyl)-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968124
3-amino-N-[4-(diethylamino)phenyl]-2,2,3-trimethylbutanamide
CID 65265051
N-[4-(diethylamino)phenyl]-N'-(2-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969471
N-[4-(diethylamino)phenyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959945
3-[4-(diethylamino)anilino]-N-(2-ethyl-6-methylphenyl)propanamide
CID 109036621
N-(4-acetamidophenyl)-2,2-dimethyl-N'-(2-methyl-6-propan-2-ylphenyl)propanediamide
CID 108968604
2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
CID 109007146
N-[4-(diethylamino)phenyl]-2-iodo-3-methylbenzamide
CID 55685027
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
2-cyano-3-[4-(diethylamino)phenyl]-N-(2,6-dimethylphenyl)prop-2-enamide
CID 3980372

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide (CID 108968103) is N-[4-(diethylamino)phenyl]-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide is CCN(CC)c1ccc(NC(=O)C(C)(C)C(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide?
The InChIKey is JKHUMDALUJUVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-7-26(8-2)19-14-12-18(13-15-19)24-21(27)23(5,6)22(28)25-20-16(3)10-9-11-17(20)4/h9-15H,7-8H2,1-6H3,(H,24,27)(H,25,28).
What are the key properties of N-[4-(diethylamino)phenyl]-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide?
N-[4-(diethylamino)phenyl]-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide has a molecular weight of 381.52 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-N'-(2,6-dimethylphenyl)-2,2-dimethylpropanediamide is sourced from PubChem (CID 108968103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).