3-[[3-[di(propan-2-yl)carbamoyl]phenyl]diazenyl]-N,N-di(propan-2-yl)benzamide

C26H36N4O2 — CID 102350895

IUPAC3-[[3-[di(propan-2-yl)carbamoyl]phenyl]diazenyl]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1cccc(/N=N/c2cccc(C(=O)N(C(C)C)C(C)C)c2)c1)C(C)C
InChIInChI=1S/C26H36N4O2/c1-17(2)29(18(3)4)25(31)21-11-9-13-23(15-21)27-28-24-14-10-12-22(16-24)26(32)30(19(5)6)20(7)8/h9-20H,1-8H3/b28-27+
InChIKeyMCEAJFHVMOUDPI-BYYHNAKLSA-N
MW436.60 g/mol
LogP6.62
Rot. Bonds8

About 3-[[3-[di(propan-2-yl)carbamoyl]phenyl]diazenyl]-N,N-di(propan-2-yl)benzamide

3-[[3-[di(propan-2-yl)carbamoyl]phenyl]diazenyl]-N,N-di(propan-2-yl)benzamide (PubChem CID 102350895) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 3-[[3-[di(propan-2-yl)carbamoyl]phenyl]diazenyl]-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name3-[[3-[di(propan-2-yl)carbamoyl]phenyl]diazenyl]-N,N-di(propan-2-yl)benzamide
PubChem CID102350895
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC Name3-[[3-[di(propan-2-yl)carbamoyl]phenyl]diazenyl]-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1cccc(/N=N/c2cccc(C(=O)N(C(C)C)C(C)C)c2)c1)C(C)C
InChIInChI=1S/C26H36N4O2/c1-17(2)29(18(3)4)25(31)21-11-9-13-23(15-21)27-28-24-14-10-12-22(16-24)26(32)30(19(5)6)20(7)8/h9-20H,1-8H3/b28-27+
InChIKeyMCEAJFHVMOUDPI-BYYHNAKLSA-N
XLogP6.62
TPSA65.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[3-[[3-[[(1S)-1-carboxyethyl]carbamoyl]phenyl]diazenyl]benzoyl]amino]propanoic acid
CID 102421825
disodium;3-[(3-carboxylatophenyl)diazenyl]benzoate
CID 101498255
2-(dimethylamino)-1-(3-phenyldiazenylphenyl)ethanone
CID 170896073
4-[2-[4-[4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethynyl]-N-[4-[2-[4-[di(propan-2-yl)carbamoyl]phenyl]ethynyl]phenyl]anilino]phenyl]ethynyl]-N,N-di(propan-2-yl)benzamide
CID 142414670
[3-[(4-methylphenyl)diazenyl]phenyl]-phenylmethanone
CID 134953272
4-[bis(trimethylsilyl)methyl]-N,N-di(propan-2-yl)benzamide
CID 122210203
N,3-dimethyl-N-propan-2-ylbenzamide
CID 91322011
N'-butan-2-yl-3-chloro-N-ethyl-N'-(3-phenyldiazenylbenzoyl)-5-sulfanylbenzohydrazide
CID 19753007
3-[(3,4-dihydroxyphenyl)diazenyl]benzoic acid
CID 135853153
N,N-di(propan-2-yl)thiophene-3-carboxamide
CID 50896326
1-N-methyl-4-N,4-N-di(propan-2-yl)benzene-1,4-dicarboxamide
CID 793999
3-(aminodiazenyl)benzoic acid
CID 147903566

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[di(propan-2-yl)carbamoyl]phenyl]diazenyl]-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 3-[[3-[di(propan-2-yl)carbamoyl]phenyl]diazenyl]-N,N-di(propan-2-yl)benzamide (CID 102350895) is 3-[[3-[di(propan-2-yl)carbamoyl]phenyl]diazenyl]-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 3-[[3-[di(propan-2-yl)carbamoyl]phenyl]diazenyl]-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 3-[[3-[di(propan-2-yl)carbamoyl]phenyl]diazenyl]-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1cccc(/N=N/c2cccc(C(=O)N(C(C)C)C(C)C)c2)c1)C(C)C.
What is the InChIKey of 3-[[3-[di(propan-2-yl)carbamoyl]phenyl]diazenyl]-N,N-di(propan-2-yl)benzamide?
The InChIKey is MCEAJFHVMOUDPI-BYYHNAKLSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-17(2)29(18(3)4)25(31)21-11-9-13-23(15-21)27-28-24-14-10-12-22(16-24)26(32)30(19(5)6)20(7)8/h9-20H,1-8H3/b28-27+.
What are the key properties of 3-[[3-[di(propan-2-yl)carbamoyl]phenyl]diazenyl]-N,N-di(propan-2-yl)benzamide?
3-[[3-[di(propan-2-yl)carbamoyl]phenyl]diazenyl]-N,N-di(propan-2-yl)benzamide has a molecular weight of 436.60 g/mol, XLogP of 6.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[di(propan-2-yl)carbamoyl]phenyl]diazenyl]-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 102350895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).