N'-[2,6-di(propan-2-yl)phenyl]-N-naphthalen-2-yl-3-phenylprop-2-ynimidamide

C31H30N2 — CID 122216332

IUPACN'-[2,6-di(propan-2-yl)phenyl]-N-naphthalen-2-yl-3-phenylprop-2-ynimidamide
SMILESCC(C)c1cccc(C(C)C)c1/N=C(\C#Cc1ccccc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C31H30N2/c1-22(2)28-15-10-16-29(23(3)4)31(28)33-30(20-17-24-11-6-5-7-12-24)32-27-19-18-25-13-8-9-14-26(25)21-27/h5-16,18-19,21-23H,1-4H3,(H,32,33)
InChIKeyUCLQMWQLHPGKND-UHFFFAOYSA-N
MW430.60 g/mol
LogP8.28
Rot. Bonds4

About N'-[2,6-di(propan-2-yl)phenyl]-N-naphthalen-2-yl-3-phenylprop-2-ynimidamide

N'-[2,6-di(propan-2-yl)phenyl]-N-naphthalen-2-yl-3-phenylprop-2-ynimidamide (PubChem CID 122216332) has the molecular formula C31H30N2 and a molecular weight of 430.60 g/mol. Its IUPAC name is N'-[2,6-di(propan-2-yl)phenyl]-N-naphthalen-2-yl-3-phenylprop-2-ynimidamide.

Molecular Properties

Compound NameN'-[2,6-di(propan-2-yl)phenyl]-N-naphthalen-2-yl-3-phenylprop-2-ynimidamide
PubChem CID122216332
Molecular FormulaC31H30N2
Molecular Weight430.60 g/mol
Exact Mass430.24
IUPAC NameN'-[2,6-di(propan-2-yl)phenyl]-N-naphthalen-2-yl-3-phenylprop-2-ynimidamide
SMILESCC(C)c1cccc(C(C)C)c1/N=C(\C#Cc1ccccc1)Nc1ccc2ccccc2c1
InChIInChI=1S/C31H30N2/c1-22(2)28-15-10-16-29(23(3)4)31(28)33-30(20-17-24-11-6-5-7-12-24)32-27-19-18-25-13-8-9-14-26(25)21-27/h5-16,18-19,21-23H,1-4H3,(H,32,33)
InChIKeyUCLQMWQLHPGKND-UHFFFAOYSA-N
XLogP8.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.60
LogP ≤ 58.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2,6-di(propan-2-yl)phenyl]-2-phenylethenyl]naphthalen-2-amine
CID 139964630
N,N',3-triphenylprop-2-ynimidamide
CID 139160871
N'-cyclohexyl-N-[2,6-di(propan-2-yl)phenyl]-3-phenylprop-2-ynimidamide
CID 122216334
(Z)-3-anilino-2-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]but-2-enenitrile
CID 177497506
methyl N'-benzyl-N-naphthalen-2-ylcarbamimidothioate
CID 134396633
1-N,4-N-bis[(Z)-4-[2,6-di(propan-2-yl)phenyl]iminopent-2-en-2-yl]benzene-1,4-diamine
CID 162408249
N-isoquinolin-6-yl-3-phenylprop-2-ynamide
CID 135200057
N-[2,6-di(propan-2-yl)phenyl]benzenecarboximidoyl chloride
CID 22596623
1-naphthalen-2-yl-3-(1-phenylethyl)urea
CID 78400043
2-(naphthalen-2-ylamino)-N-(2-propan-2-ylphenyl)acetamide
CID 26506452
diphenyl 2-N,6-N-bis[2,6-di(propan-2-yl)phenyl]pyridine-2,6-dicarboximidate
CID 122378442
N-naphthalen-2-yl-4-propan-2-yloxybenzamide
CID 823400

Frequently Asked Questions

What is the IUPAC name of N'-[2,6-di(propan-2-yl)phenyl]-N-naphthalen-2-yl-3-phenylprop-2-ynimidamide?
The IUPAC name of N'-[2,6-di(propan-2-yl)phenyl]-N-naphthalen-2-yl-3-phenylprop-2-ynimidamide (CID 122216332) is N'-[2,6-di(propan-2-yl)phenyl]-N-naphthalen-2-yl-3-phenylprop-2-ynimidamide.
What is the SMILES notation for N'-[2,6-di(propan-2-yl)phenyl]-N-naphthalen-2-yl-3-phenylprop-2-ynimidamide?
The canonical SMILES for N'-[2,6-di(propan-2-yl)phenyl]-N-naphthalen-2-yl-3-phenylprop-2-ynimidamide is CC(C)c1cccc(C(C)C)c1/N=C(\C#Cc1ccccc1)Nc1ccc2ccccc2c1.
What is the InChIKey of N'-[2,6-di(propan-2-yl)phenyl]-N-naphthalen-2-yl-3-phenylprop-2-ynimidamide?
The InChIKey is UCLQMWQLHPGKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2/c1-22(2)28-15-10-16-29(23(3)4)31(28)33-30(20-17-24-11-6-5-7-12-24)32-27-19-18-25-13-8-9-14-26(25)21-27/h5-16,18-19,21-23H,1-4H3,(H,32,33).
What are the key properties of N'-[2,6-di(propan-2-yl)phenyl]-N-naphthalen-2-yl-3-phenylprop-2-ynimidamide?
N'-[2,6-di(propan-2-yl)phenyl]-N-naphthalen-2-yl-3-phenylprop-2-ynimidamide has a molecular weight of 430.60 g/mol, XLogP of 8.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,6-di(propan-2-yl)phenyl]-N-naphthalen-2-yl-3-phenylprop-2-ynimidamide is sourced from PubChem (CID 122216332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).