N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide

C18H21N3O2 — CID 108953119

IUPACN'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-4-6-14(7-5-13)19-17(22)12-18(23)20-15-8-10-16(11-9-15)21(2)3/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyKZWJMPSDIILWIB-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.03
Rot. Bonds5

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

N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide (PubChem CID 108953119) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide.

Molecular Properties

Compound NameN'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
PubChem CID108953119
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
SMILESCc1ccc(NC(=O)CC(=O)Nc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C18H21N3O2/c1-13-4-6-14(7-5-13)19-17(22)12-18(23)20-15-8-10-16(11-9-15)21(2)3/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyKZWJMPSDIILWIB-UHFFFAOYSA-N
XLogP3.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.03
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

2-[4-(dimethylamino)anilino]-N-(4-methylphenyl)acetamide
CID 7559879
N-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 8752896
2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide
CID 2645683
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
N-[4-(dimethylamino)phenyl]-N'-(2,3-dimethylphenyl)propanediamide
CID 108953884
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 113118858
N'-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)propanediamide
CID 108943193
N-[4-(dimethylamino)phenyl]-N'-(2-fluorophenyl)propanediamide
CID 108954767
N-[4-(dimethylamino)phenyl]-3-[[2-(4-methylphenoxy)acetyl]hydrazinylidene]butanamide
CID 3636955
N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
N-[4-(dimethylamino)phenyl]-2-methyl-2-(4-methylphenyl)propanamide
CID 113198132
N-[4-(dimethylamino)phenyl]-2-(pentan-3-ylamino)acetamide
CID 2455475

Frequently Asked Questions

What is the IUPAC name of N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide?
The IUPAC name of N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide (CID 108953119) is N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide.
What is the SMILES notation for N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide?
The canonical SMILES for N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide is Cc1ccc(NC(=O)CC(=O)Nc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide?
The InChIKey is KZWJMPSDIILWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-4-6-14(7-5-13)19-17(22)12-18(23)20-15-8-10-16(11-9-15)21(2)3/h4-11H,12H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide?
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide has a molecular weight of 311.38 g/mol, XLogP of 3.03, 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-(4-methylphenyl)propanediamide is sourced from PubChem (CID 108953119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).