N,N'-bis(1-phenylpropan-2-yl)hexanediamide

C24H32N2O2 — CID 3104536

IUPACN,N'-bis(1-phenylpropan-2-yl)hexanediamide
SMILESCC(Cc1ccccc1)NC(=O)CCCCC(=O)NC(C)Cc1ccccc1
InChIInChI=1S/C24H32N2O2/c1-19(17-21-11-5-3-6-12-21)25-23(27)15-9-10-16-24(28)26-20(2)18-22-13-7-4-8-14-22/h3-8,11-14,19-20H,9-10,15-18H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyGMHMUINNIBNVCL-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.04
Rot. Bonds11

About N,N'-bis(1-phenylpropan-2-yl)hexanediamide

N,N'-bis(1-phenylpropan-2-yl)hexanediamide (PubChem CID 3104536) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N,N'-bis(1-phenylpropan-2-yl)hexanediamide.

Molecular Properties

Compound NameN,N'-bis(1-phenylpropan-2-yl)hexanediamide
PubChem CID3104536
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN,N'-bis(1-phenylpropan-2-yl)hexanediamide
SMILESCC(Cc1ccccc1)NC(=O)CCCCC(=O)NC(C)Cc1ccccc1
InChIInChI=1S/C24H32N2O2/c1-19(17-21-11-5-3-6-12-21)25-23(27)15-9-10-16-24(28)26-20(2)18-22-13-7-4-8-14-22/h3-8,11-14,19-20H,9-10,15-18H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyGMHMUINNIBNVCL-UHFFFAOYSA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(1-phenylpropan-2-yl)hexanediamide?
The IUPAC name of N,N'-bis(1-phenylpropan-2-yl)hexanediamide (CID 3104536) is N,N'-bis(1-phenylpropan-2-yl)hexanediamide.
What is the SMILES notation for N,N'-bis(1-phenylpropan-2-yl)hexanediamide?
The canonical SMILES for N,N'-bis(1-phenylpropan-2-yl)hexanediamide is CC(Cc1ccccc1)NC(=O)CCCCC(=O)NC(C)Cc1ccccc1.
What is the InChIKey of N,N'-bis(1-phenylpropan-2-yl)hexanediamide?
The InChIKey is GMHMUINNIBNVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-19(17-21-11-5-3-6-12-21)25-23(27)15-9-10-16-24(28)26-20(2)18-22-13-7-4-8-14-22/h3-8,11-14,19-20H,9-10,15-18H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N,N'-bis(1-phenylpropan-2-yl)hexanediamide?
N,N'-bis(1-phenylpropan-2-yl)hexanediamide has a molecular weight of 380.53 g/mol, XLogP of 4.04, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1-phenylpropan-2-yl)hexanediamide is sourced from PubChem (CID 3104536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).