N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide

C19H20N4O6 — CID 4123173

IUPACN,N'-bis(4-methyl-2-nitrophenyl)pentanediamide
SMILESCc1ccc(NC(=O)CCCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C19H20N4O6/c1-12-6-8-14(16(10-12)22(26)27)20-18(24)4-3-5-19(25)21-15-9-7-13(2)11-17(15)23(28)29/h6-11H,3-5H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyHYMPWLNZVFWLSZ-UHFFFAOYSA-N
MW400.39 g/mol
LogP3.87
Rot. Bonds8

About N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide

N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide (PubChem CID 4123173) has the molecular formula C19H20N4O6 and a molecular weight of 400.39 g/mol. Its IUPAC name is N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide.

Molecular Properties

Compound NameN,N'-bis(4-methyl-2-nitrophenyl)pentanediamide
PubChem CID4123173
Molecular FormulaC19H20N4O6
Molecular Weight400.39 g/mol
Exact Mass400.14
IUPAC NameN,N'-bis(4-methyl-2-nitrophenyl)pentanediamide
SMILESCc1ccc(NC(=O)CCCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C19H20N4O6/c1-12-6-8-14(16(10-12)22(26)27)20-18(24)4-3-5-19(25)21-15-9-7-13(2)11-17(15)23(28)29/h6-11H,3-5H2,1-2H3,(H,20,24)(H,21,25)
InChIKeyHYMPWLNZVFWLSZ-UHFFFAOYSA-N
XLogP3.87
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide 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

7-amino-N-(4-methyl-2-nitrophenyl)heptanamide
CID 43708379
2-bromo-N-(4-methyl-2-nitrophenyl)acetamide
CID 3415346
2-(methylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 43218210
N-(4-methyl-2-nitrophenyl)-4-(2-methylphenoxy)butanamide
CID 19173344
N-(4-methyl-2-nitrophenyl)-2-propan-2-yloxyacetamide
CID 112604437
N-(4-methyl-2-nitrophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555752
N-(4-methyl-2-nitrophenyl)-3-(3-nitropyrazol-1-yl)propanamide
CID 19565838
2-(2-aminoethylsulfanyl)-N-(4-methyl-2-nitrophenyl)acetamide
CID 84551895
benzhydryl 4-(4-methyl-2-nitroanilino)-4-oxobutanoate
CID 9172228
N-(2-chloro-4-methylphenyl)-2-(4-methyl-2-nitroanilino)acetamide
CID 133389417
N,N'-bis(4-ethoxy-2-nitrophenyl)hexanediamide
CID 5235455
2-(benzhydrylamino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 7778820

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide?
The IUPAC name of N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide (CID 4123173) is N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide.
What is the SMILES notation for N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide?
The canonical SMILES for N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide is Cc1ccc(NC(=O)CCCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1.
What is the InChIKey of N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide?
The InChIKey is HYMPWLNZVFWLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O6/c1-12-6-8-14(16(10-12)22(26)27)20-18(24)4-3-5-19(25)21-15-9-7-13(2)11-17(15)23(28)29/h6-11H,3-5H2,1-2H3,(H,20,24)(H,21,25).
What are the key properties of N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide?
N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide has a molecular weight of 400.39 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-methyl-2-nitrophenyl)pentanediamide is sourced from PubChem (CID 4123173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).