N'-[4-(diethylamino)phenyl]-N-[(4-methylphenyl)methyl]propanediamide

C21H27N3O2 — CID 108945823

IUPACN'-[4-(diethylamino)phenyl]-N-[(4-methylphenyl)methyl]propanediamide
SMILESCCN(CC)c1ccc(NC(=O)CC(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C21H27N3O2/c1-4-24(5-2)19-12-10-18(11-13-19)23-21(26)14-20(25)22-15-17-8-6-16(3)7-9-17/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyZEONTJQZVJDOKF-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.49
Rot. Bonds8

About N'-[4-(diethylamino)phenyl]-N-[(4-methylphenyl)methyl]propanediamide

N'-[4-(diethylamino)phenyl]-N-[(4-methylphenyl)methyl]propanediamide (PubChem CID 108945823) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N'-[4-(diethylamino)phenyl]-N-[(4-methylphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-[4-(diethylamino)phenyl]-N-[(4-methylphenyl)methyl]propanediamide
PubChem CID108945823
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN'-[4-(diethylamino)phenyl]-N-[(4-methylphenyl)methyl]propanediamide
SMILESCCN(CC)c1ccc(NC(=O)CC(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C21H27N3O2/c1-4-24(5-2)19-12-10-18(11-13-19)23-21(26)14-20(25)22-15-17-8-6-16(3)7-9-17/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyZEONTJQZVJDOKF-UHFFFAOYSA-N
XLogP3.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.49
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

1-[4-(diethylamino)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 108899132
1-N-[4-(diethylamino)phenyl]-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135550
N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide
CID 108956266
2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide
CID 2645683
N-[4-(diethylamino)phenyl]-N'-(2,4,6-trimethylphenyl)propanediamide
CID 108954456
3-[4-(diethylamino)anilino]-3-oxopropanoic acid
CID 62230045
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-methylphenyl)methyl]propanediamide
CID 108945839
N-[[4-(diethylamino)phenyl]methyl]-2-methoxyacetamide
CID 99839723
N-[[4-(diethylamino)phenyl]methyl]-2-phenylacetamide
CID 99839692
N-(4-tert-butylphenyl)-N'-[4-(diethylamino)phenyl]propanediamide
CID 108954726
N',N'-diethyl-N-[(4-methylphenyl)methyl]propanediamide
CID 108945744

Frequently Asked Questions

What is the IUPAC name of N'-[4-(diethylamino)phenyl]-N-[(4-methylphenyl)methyl]propanediamide?
The IUPAC name of N'-[4-(diethylamino)phenyl]-N-[(4-methylphenyl)methyl]propanediamide (CID 108945823) is N'-[4-(diethylamino)phenyl]-N-[(4-methylphenyl)methyl]propanediamide.
What is the SMILES notation for N'-[4-(diethylamino)phenyl]-N-[(4-methylphenyl)methyl]propanediamide?
The canonical SMILES for N'-[4-(diethylamino)phenyl]-N-[(4-methylphenyl)methyl]propanediamide is CCN(CC)c1ccc(NC(=O)CC(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of N'-[4-(diethylamino)phenyl]-N-[(4-methylphenyl)methyl]propanediamide?
The InChIKey is ZEONTJQZVJDOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-24(5-2)19-12-10-18(11-13-19)23-21(26)14-20(25)22-15-17-8-6-16(3)7-9-17/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N'-[4-(diethylamino)phenyl]-N-[(4-methylphenyl)methyl]propanediamide?
N'-[4-(diethylamino)phenyl]-N-[(4-methylphenyl)methyl]propanediamide has a molecular weight of 353.47 g/mol, XLogP of 3.49, 8 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-[(4-methylphenyl)methyl]propanediamide is sourced from PubChem (CID 108945823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).