N-[4-(diethylamino)phenyl]-N'-(2,4,6-trimethylphenyl)propanediamide

C22H29N3O2 — CID 108954456

IUPACN-[4-(diethylamino)phenyl]-N'-(2,4,6-trimethylphenyl)propanediamide
SMILESCCN(CC)c1ccc(NC(=O)CC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C22H29N3O2/c1-6-25(7-2)19-10-8-18(9-11-19)23-20(26)14-21(27)24-22-16(4)12-15(3)13-17(22)5/h8-13H,6-7,14H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyOBXATWZNYHWGHP-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.43
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-N'-(2,4,6-trimethylphenyl)propanediamide

N-[4-(diethylamino)phenyl]-N'-(2,4,6-trimethylphenyl)propanediamide (PubChem CID 108954456) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-N'-(2,4,6-trimethylphenyl)propanediamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-N'-(2,4,6-trimethylphenyl)propanediamide
PubChem CID108954456
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[4-(diethylamino)phenyl]-N'-(2,4,6-trimethylphenyl)propanediamide
SMILESCCN(CC)c1ccc(NC(=O)CC(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C22H29N3O2/c1-6-25(7-2)19-10-8-18(9-11-19)23-20(26)14-21(27)24-22-16(4)12-15(3)13-17(22)5/h8-13H,6-7,14H2,1-5H3,(H,23,26)(H,24,27)
InChIKeyOBXATWZNYHWGHP-UHFFFAOYSA-N
XLogP4.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.43
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-(4-acetamidophenyl)-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108954449
1-N-[4-(diethylamino)phenyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982110
N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide
CID 108956266
N-[4-(diethylamino)phenyl]-2,4,6-trimethylbenzamide
CID 19167686
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
4-(diethylamino)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 9150031
3-[4-(diethylamino)anilino]-3-oxopropanoic acid
CID 62230045
N-(4-tert-butylphenyl)-N'-[4-(diethylamino)phenyl]propanediamide
CID 108954726
N'-(4-chloro-2-methylphenyl)-N-[4-(diethylamino)phenyl]propanediamide
CID 108955203
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
N'-[4-(diethylamino)phenyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945823
N-[4-(diethylamino)phenyl]-2-(propylamino)acetamide
CID 60648364

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-N'-(2,4,6-trimethylphenyl)propanediamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-N'-(2,4,6-trimethylphenyl)propanediamide (CID 108954456) is N-[4-(diethylamino)phenyl]-N'-(2,4,6-trimethylphenyl)propanediamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-N'-(2,4,6-trimethylphenyl)propanediamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-N'-(2,4,6-trimethylphenyl)propanediamide is CCN(CC)c1ccc(NC(=O)CC(=O)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-N'-(2,4,6-trimethylphenyl)propanediamide?
The InChIKey is OBXATWZNYHWGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-6-25(7-2)19-10-8-18(9-11-19)23-20(26)14-21(27)24-22-16(4)12-15(3)13-17(22)5/h8-13H,6-7,14H2,1-5H3,(H,23,26)(H,24,27).
What are the key properties of N-[4-(diethylamino)phenyl]-N'-(2,4,6-trimethylphenyl)propanediamide?
N-[4-(diethylamino)phenyl]-N'-(2,4,6-trimethylphenyl)propanediamide has a molecular weight of 367.49 g/mol, XLogP of 4.43, 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'-(2,4,6-trimethylphenyl)propanediamide is sourced from PubChem (CID 108954456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).