N-[4-(dimethylamino)phenyl]-N'-(2,3-dimethylphenyl)propanediamide

C19H23N3O2 — CID 108953884

IUPACN-[4-(dimethylamino)phenyl]-N'-(2,3-dimethylphenyl)propanediamide
SMILESCc1cccc(NC(=O)CC(=O)Nc2ccc(N(C)C)cc2)c1C
InChIInChI=1S/C19H23N3O2/c1-13-6-5-7-17(14(13)2)21-19(24)12-18(23)20-15-8-10-16(11-9-15)22(3)4/h5-11H,12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyMKNAKNUNQFMVNK-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.34
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-N'-(2,3-dimethylphenyl)propanediamide

N-[4-(dimethylamino)phenyl]-N'-(2,3-dimethylphenyl)propanediamide (PubChem CID 108953884) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-N'-(2,3-dimethylphenyl)propanediamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-N'-(2,3-dimethylphenyl)propanediamide
PubChem CID108953884
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[4-(dimethylamino)phenyl]-N'-(2,3-dimethylphenyl)propanediamide
SMILESCc1cccc(NC(=O)CC(=O)Nc2ccc(N(C)C)cc2)c1C
InChIInChI=1S/C19H23N3O2/c1-13-6-5-7-17(14(13)2)21-19(24)12-18(23)20-15-8-10-16(11-9-15)22(3)4/h5-11H,12H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyMKNAKNUNQFMVNK-UHFFFAOYSA-N
XLogP3.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.34
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'}

Analyze N-[4-(dimethylamino)phenyl]-N'-(2,3-dimethylphenyl)propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-N'-(2,3-dimethylphenyl)propanediamide
CID 108953863
N-[4-(dimethylamino)phenyl]-N'-(2-fluorophenyl)propanediamide
CID 108954767
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
N-(3-bromo-4-methylphenyl)-N'-(2,3-dimethylphenyl)propanediamide
CID 108953864
N-[4-(dimethylamino)phenyl]-N'-(2-methoxyphenyl)propanediamide
CID 108955540
[2-(2,3-dimethylanilino)-2-oxoethyl]-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium
CID 9287642
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9288005
N'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide
CID 108951456
methyl 3-(2,3-dimethylanilino)-3-oxopropanoate
CID 14278404
2-[(2,3-dimethylphenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide
CID 7943944

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-N'-(2,3-dimethylphenyl)propanediamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-N'-(2,3-dimethylphenyl)propanediamide (CID 108953884) is N-[4-(dimethylamino)phenyl]-N'-(2,3-dimethylphenyl)propanediamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-N'-(2,3-dimethylphenyl)propanediamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-N'-(2,3-dimethylphenyl)propanediamide is Cc1cccc(NC(=O)CC(=O)Nc2ccc(N(C)C)cc2)c1C.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-N'-(2,3-dimethylphenyl)propanediamide?
The InChIKey is MKNAKNUNQFMVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-6-5-7-17(14(13)2)21-19(24)12-18(23)20-15-8-10-16(11-9-15)22(3)4/h5-11H,12H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N-[4-(dimethylamino)phenyl]-N'-(2,3-dimethylphenyl)propanediamide?
N-[4-(dimethylamino)phenyl]-N'-(2,3-dimethylphenyl)propanediamide has a molecular weight of 325.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-N'-(2,3-dimethylphenyl)propanediamide is sourced from PubChem (CID 108953884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).