N,N,N',N'-tetrakis(4-methylphenyl)propanediamide

C31H30N2O2 — CID 165110005

IUPACN,N,N',N'-tetrakis(4-methylphenyl)propanediamide
SMILESCc1ccc(N(C(=O)CC(=O)N(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C31H30N2O2/c1-22-5-13-26(14-6-22)32(27-15-7-23(2)8-16-27)30(34)21-31(35)33(28-17-9-24(3)10-18-28)29-19-11-25(4)12-20-29/h5-20H,21H2,1-4H3
InChIKeyZUDHKKGAOXPIAD-UHFFFAOYSA-N
MW462.59 g/mol
LogP7.34
Rot. Bonds6

About N,N,N',N'-tetrakis(4-methylphenyl)propanediamide

N,N,N',N'-tetrakis(4-methylphenyl)propanediamide (PubChem CID 165110005) has the molecular formula C31H30N2O2 and a molecular weight of 462.59 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(4-methylphenyl)propanediamide.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(4-methylphenyl)propanediamide
PubChem CID165110005
Molecular FormulaC31H30N2O2
Molecular Weight462.59 g/mol
Exact Mass462.23
IUPAC NameN,N,N',N'-tetrakis(4-methylphenyl)propanediamide
SMILESCc1ccc(N(C(=O)CC(=O)N(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C31H30N2O2/c1-22-5-13-26(14-6-22)32(27-15-7-23(2)8-16-27)30(34)21-31(35)33(28-17-9-24(3)10-18-28)29-19-11-25(4)12-20-29/h5-20H,21H2,1-4H3
InChIKeyZUDHKKGAOXPIAD-UHFFFAOYSA-N
XLogP7.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N,N',N'-tetrakis(4-methylphenyl)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

2-(4-methylphenoxy)-N-(4-methylphenyl)-N-phenylacetamide
CID 70115450
1-hydroxy-3-[4-[[hydroxy-(4-methylphenyl)carbamoyl]amino]butyl]-1-(4-methylphenyl)urea
CID 4299857
2-amino-N-methyl-N-(4-methylphenyl)acetamide
CID 22617441
2-(4-methylphenyl)sulfonyl-N,N-diphenylacetamide
CID 3265558
4-chloro-N-methyl-N-(4-methylphenyl)butanamide
CID 63308688
1,1-dimethyl-3-(4-methylphenyl)-3-phenylurea
CID 15856392
tert-butyl N,N-bis(4-methylphenyl)carbamate
CID 139528055
1-hydroxy-3-[2-[[hydroxy-(4-methylphenyl)carbamoyl]amino]ethyl]-1-(4-methylphenyl)urea
CID 5094867
(4-methylphenyl)-[4-(N-(4-methylphenyl)anilino)phenyl]carbamic acid
CID 67427194
3-(N-(2-aminoacetyl)-4-methylanilino)propanoic acid
CID 61161445
N'-(2-amino-4-methylphenyl)-N'-(4-methylphenyl)heptanediamide
CID 68559506
2,2,2-trifluoro-N-(4-methylphenyl)-N-phenylacetamide
CID 19733750

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis(4-methylphenyl)propanediamide?
The IUPAC name of N,N,N',N'-tetrakis(4-methylphenyl)propanediamide (CID 165110005) is N,N,N',N'-tetrakis(4-methylphenyl)propanediamide.
What is the SMILES notation for N,N,N',N'-tetrakis(4-methylphenyl)propanediamide?
The canonical SMILES for N,N,N',N'-tetrakis(4-methylphenyl)propanediamide is Cc1ccc(N(C(=O)CC(=O)N(c2ccc(C)cc2)c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of N,N,N',N'-tetrakis(4-methylphenyl)propanediamide?
The InChIKey is ZUDHKKGAOXPIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O2/c1-22-5-13-26(14-6-22)32(27-15-7-23(2)8-16-27)30(34)21-31(35)33(28-17-9-24(3)10-18-28)29-19-11-25(4)12-20-29/h5-20H,21H2,1-4H3.
What are the key properties of N,N,N',N'-tetrakis(4-methylphenyl)propanediamide?
N,N,N',N'-tetrakis(4-methylphenyl)propanediamide has a molecular weight of 462.59 g/mol, XLogP of 7.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis(4-methylphenyl)propanediamide is sourced from PubChem (CID 165110005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).