N-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]benzamide

C26H28N2O — CID 136845607

IUPACN-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]benzamide
SMILESCC(C)c1cccc(C(C)C)c1/N=C(\NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2O/c1-18(2)22-16-11-17-23(19(3)4)24(22)27-25(20-12-7-5-8-13-20)28-26(29)21-14-9-6-10-15-21/h5-19H,1-4H3,(H,27,28,29)
InChIKeyHKOPOZNIBLCONZ-UHFFFAOYSA-N
MW384.52 g/mol
LogP6.44
Rot. Bonds5

About N-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]benzamide

N-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]benzamide (PubChem CID 136845607) has the molecular formula C26H28N2O and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]benzamide.

Molecular Properties

Compound NameN-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]benzamide
PubChem CID136845607
Molecular FormulaC26H28N2O
Molecular Weight384.52 g/mol
Exact Mass384.22
IUPAC NameN-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]benzamide
SMILESCC(C)c1cccc(C(C)C)c1/N=C(\NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H28N2O/c1-18(2)22-16-11-17-23(19(3)4)24(22)27-25(20-12-7-5-8-13-20)28-26(29)21-14-9-6-10-15-21/h5-19H,1-4H3,(H,27,28,29)
InChIKeyHKOPOZNIBLCONZ-UHFFFAOYSA-N
XLogP6.44
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]benzamide;hydroiodide
CID 175991462
3-[2,6-di(propan-2-yl)phenyl]imino-2-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-1-phenylbutan-1-one
CID 139257943
N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidoyl chloride
CID 22596623
N-[2,6-di(propan-2-yl)phenyl]benzamide
CID 709320
N-(2-diphenylphosphanylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]benzenecarboximidamide
CID 132582428
N'-[2,6-di(propan-2-yl)phenyl]-N-[2-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]anilino]benzenecarboximidamide
CID 87703997
N-(2-propan-2-ylphenyl)benzamide
CID 723391
bis([2,6-di(propan-2-yl)phenyl]-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]azanide);molybdenum
CID 139115698
3-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]pentane-2,4-dione
CID 102209493
3-[2,6-di(propan-2-yl)anilino]-3-[2,6-di(propan-2-yl)phenyl]imino-2-methylpropanoic acid
CID 91068958
1-(3-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine
CID 58238566
(benzhydrylideneamino) N'-[2,6-di(propan-2-yl)phenyl]carbamimidate
CID 87424175

Frequently Asked Questions

What is the IUPAC name of N-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]benzamide?
The IUPAC name of N-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]benzamide (CID 136845607) is N-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]benzamide.
What is the SMILES notation for N-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]benzamide?
The canonical SMILES for N-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]benzamide is CC(C)c1cccc(C(C)C)c1/N=C(\NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]benzamide?
The InChIKey is HKOPOZNIBLCONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O/c1-18(2)22-16-11-17-23(19(3)4)24(22)27-25(20-12-7-5-8-13-20)28-26(29)21-14-9-6-10-15-21/h5-19H,1-4H3,(H,27,28,29).
What are the key properties of N-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]benzamide?
N-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]benzamide has a molecular weight of 384.52 g/mol, XLogP of 6.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-[2,6-di(propan-2-yl)phenyl]-C-phenylcarbonimidoyl]benzamide is sourced from PubChem (CID 136845607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).