2,2-bis(4-anilinophenyl)hexanediamide

C30H30N4O2 — CID 174828822

IUPAC2,2-bis(4-anilinophenyl)hexanediamide
SMILESNC(=O)CCCC(C(N)=O)(c1ccc(Nc2ccccc2)cc1)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C30H30N4O2/c31-28(35)12-7-21-30(29(32)36,22-13-17-26(18-14-22)33-24-8-3-1-4-9-24)23-15-19-27(20-16-23)34-25-10-5-2-6-11-25/h1-6,8-11,13-20,33-34H,7,12,21H2,(H2,31,35)(H2,32,36)
InChIKeyKPHARFDNSCBUTN-UHFFFAOYSA-N
MW478.60 g/mol
LogP5.60
Rot. Bonds11

About 2,2-bis(4-anilinophenyl)hexanediamide

2,2-bis(4-anilinophenyl)hexanediamide (PubChem CID 174828822) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 2,2-bis(4-anilinophenyl)hexanediamide.

Molecular Properties

Compound Name2,2-bis(4-anilinophenyl)hexanediamide
PubChem CID174828822
Molecular FormulaC30H30N4O2
Molecular Weight478.60 g/mol
Exact Mass478.24
IUPAC Name2,2-bis(4-anilinophenyl)hexanediamide
SMILESNC(=O)CCCC(C(N)=O)(c1ccc(Nc2ccccc2)cc1)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C30H30N4O2/c31-28(35)12-7-21-30(29(32)36,22-13-17-26(18-14-22)33-24-8-3-1-4-9-24)23-15-19-27(20-16-23)34-25-10-5-2-6-11-25/h1-6,8-11,13-20,33-34H,7,12,21H2,(H2,31,35)(H2,32,36)
InChIKeyKPHARFDNSCBUTN-UHFFFAOYSA-N
XLogP5.60
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.60
LogP ≤ 55.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-diphenylhexanamide;hydrochloride
CID 142429226
2,2-dipyridin-3-ylhexanediamide
CID 174727979
2-(4-methylphenyl)-2-phenylhexanamide;hydrochloride
CID 142429224
2-[(5-amino-5-oxo-4,4-diphenylpentyl)-(carboxymethyl)amino]acetic acid
CID 20556756
4-anilinobutanamide
CID 67066705
2-[(6-amino-6-oxo-5,5-diphenylhexyl)-(carboxymethyl)amino]acetic acid
CID 20556762
6-oxo-5,5-diphenyloctanoic acid
CID 19981505
4-anilino-4-sulfanylidenebutanamide
CID 140968084
5-methyl-2,2-diphenylhexanamide;hydrochloride
CID 175870176
1-[2-[(5-amino-5-oxo-4,4-diphenylpentyl)-methylamino]ethyl]-4-(sulfinatoamino)benzene
CID 19088481
(9Z,12Z)-2,2-diphenyloctadeca-9,12-dienamide
CID 122703905
4-morpholin-4-yl-2,2-diphenylbutanamide
CID 24840208

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-anilinophenyl)hexanediamide?
The IUPAC name of 2,2-bis(4-anilinophenyl)hexanediamide (CID 174828822) is 2,2-bis(4-anilinophenyl)hexanediamide.
What is the SMILES notation for 2,2-bis(4-anilinophenyl)hexanediamide?
The canonical SMILES for 2,2-bis(4-anilinophenyl)hexanediamide is NC(=O)CCCC(C(N)=O)(c1ccc(Nc2ccccc2)cc1)c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 2,2-bis(4-anilinophenyl)hexanediamide?
The InChIKey is KPHARFDNSCBUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2/c31-28(35)12-7-21-30(29(32)36,22-13-17-26(18-14-22)33-24-8-3-1-4-9-24)23-15-19-27(20-16-23)34-25-10-5-2-6-11-25/h1-6,8-11,13-20,33-34H,7,12,21H2,(H2,31,35)(H2,32,36).
What are the key properties of 2,2-bis(4-anilinophenyl)hexanediamide?
2,2-bis(4-anilinophenyl)hexanediamide has a molecular weight of 478.60 g/mol, XLogP of 5.60, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-anilinophenyl)hexanediamide is sourced from PubChem (CID 174828822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).