3-methyl-N,N'-bis(2-phenylphenyl)hexanediamide

C31H30N2O2 — CID 112830357

IUPAC3-methyl-N,N'-bis(2-phenylphenyl)hexanediamide
SMILESCC(CCC(=O)Nc1ccccc1-c1ccccc1)CC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C31H30N2O2/c1-23(22-31(35)33-29-19-11-9-17-27(29)25-14-6-3-7-15-25)20-21-30(34)32-28-18-10-8-16-26(28)24-12-4-2-5-13-24/h2-19,23H,20-22H2,1H3,(H,32,34)(H,33,35)
InChIKeyWCSSPXRKPFUELV-UHFFFAOYSA-N
MW462.59 g/mol
LogP7.40
Rot. Bonds9

About 3-methyl-N,N'-bis(2-phenylphenyl)hexanediamide

3-methyl-N,N'-bis(2-phenylphenyl)hexanediamide (PubChem CID 112830357) has the molecular formula C31H30N2O2 and a molecular weight of 462.59 g/mol. Its IUPAC name is 3-methyl-N,N'-bis(2-phenylphenyl)hexanediamide.

Molecular Properties

Compound Name3-methyl-N,N'-bis(2-phenylphenyl)hexanediamide
PubChem CID112830357
Molecular FormulaC31H30N2O2
Molecular Weight462.59 g/mol
Exact Mass462.23
IUPAC Name3-methyl-N,N'-bis(2-phenylphenyl)hexanediamide
SMILESCC(CCC(=O)Nc1ccccc1-c1ccccc1)CC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C31H30N2O2/c1-23(22-31(35)33-29-19-11-9-17-27(29)25-14-6-3-7-15-25)20-21-30(34)32-28-18-10-8-16-26(28)24-12-4-2-5-13-24/h2-19,23H,20-22H2,1H3,(H,32,34)(H,33,35)
InChIKeyWCSSPXRKPFUELV-UHFFFAOYSA-N
XLogP7.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 57.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-oxo-2-(2-phenylanilino)ethyl] 4-methylpentanoate
CID 7848060
3-oxo-3-(2-phenylanilino)propanoic acid
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2-[[(2R)-pentan-2-yl]amino]-N-(2-phenylphenyl)acetamide
CID 2112768
2-chloro-N-(2-phenylphenyl)acetamide
CID 1129350
N-(4-hydroxy-2-methylbutyl)-N'-(2-phenylphenyl)oxamide
CID 111490995
2-chloro-N-[2-(4-phenylphenyl)phenyl]acetamide
CID 175267400
N-[2-[3,5-bis[2-(butanoylamino)phenyl]phenyl]phenyl]butanamide
CID 102081724
(2S,3S)-3-methyl-2-[[2-oxo-2-(2-phenylanilino)ethyl]amino]pentanoic acid
CID 122099893
3-methyl-5-oxo-5-(2-thiophen-2-ylanilino)pentanoic acid
CID 62966107
3-(4-methylphenyl)sulfonyl-N-(2-phenylphenyl)propanamide
CID 26727449
N-(2-phenylphenyl)acetamide;propan-1-ol
CID 175030859
3-[N-(2-hydroxybutyl)anilino]-N-(2-phenylphenyl)propanamide
CID 56526498

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N,N'-bis(2-phenylphenyl)hexanediamide?
The IUPAC name of 3-methyl-N,N'-bis(2-phenylphenyl)hexanediamide (CID 112830357) is 3-methyl-N,N'-bis(2-phenylphenyl)hexanediamide.
What is the SMILES notation for 3-methyl-N,N'-bis(2-phenylphenyl)hexanediamide?
The canonical SMILES for 3-methyl-N,N'-bis(2-phenylphenyl)hexanediamide is CC(CCC(=O)Nc1ccccc1-c1ccccc1)CC(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 3-methyl-N,N'-bis(2-phenylphenyl)hexanediamide?
The InChIKey is WCSSPXRKPFUELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O2/c1-23(22-31(35)33-29-19-11-9-17-27(29)25-14-6-3-7-15-25)20-21-30(34)32-28-18-10-8-16-26(28)24-12-4-2-5-13-24/h2-19,23H,20-22H2,1H3,(H,32,34)(H,33,35).
What are the key properties of 3-methyl-N,N'-bis(2-phenylphenyl)hexanediamide?
3-methyl-N,N'-bis(2-phenylphenyl)hexanediamide has a molecular weight of 462.59 g/mol, XLogP of 7.40, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N,N'-bis(2-phenylphenyl)hexanediamide is sourced from PubChem (CID 112830357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).