4-[[4-(dimethylamino)phenyl]diazenyl]-N-(2-oxopentan-3-yl)benzamide

C20H24N4O2 — CID 139481264

IUPAC4-[[4-(dimethylamino)phenyl]diazenyl]-N-(2-oxopentan-3-yl)benzamide
SMILESCCC(NC(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(C)=O
InChIInChI=1S/C20H24N4O2/c1-5-19(14(2)25)21-20(26)15-6-8-16(9-7-15)22-23-17-10-12-18(13-11-17)24(3)4/h6-13,19H,5H2,1-4H3,(H,21,26)/b23-22+
InChIKeyKWJMPRSHDRGMDE-GHVJWSGMSA-N
MW352.44 g/mol
LogP4.27
Rot. Bonds7

About 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(2-oxopentan-3-yl)benzamide

4-[[4-(dimethylamino)phenyl]diazenyl]-N-(2-oxopentan-3-yl)benzamide (PubChem CID 139481264) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(2-oxopentan-3-yl)benzamide.

Molecular Properties

Compound Name4-[[4-(dimethylamino)phenyl]diazenyl]-N-(2-oxopentan-3-yl)benzamide
PubChem CID139481264
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name4-[[4-(dimethylamino)phenyl]diazenyl]-N-(2-oxopentan-3-yl)benzamide
SMILESCCC(NC(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(C)=O
InChIInChI=1S/C20H24N4O2/c1-5-19(14(2)25)21-20(26)15-6-8-16(9-7-15)22-23-17-10-12-18(13-11-17)24(3)4/h6-13,19H,5H2,1-4H3,(H,21,26)/b23-22+
InChIKeyKWJMPRSHDRGMDE-GHVJWSGMSA-N
XLogP4.27
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

4-(dimethylamino)-N-(1-hydroxypropyl)benzamide
CID 126643932
2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]acetic acid
CID 39846636
1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]propan-1-one
CID 58678925
N-(3-aminopropyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzamide
CID 155404148
4-(dimethylamino)-N-propan-2-ylbenzamide
CID 18712040
1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]-2-methylpropan-1-one
CID 59751506
2-[[4-(dimethylamino)benzoyl]amino]propanediamide
CID 25471332
4-[[4-(dimethylamino)phenyl]diazenyl]-N-(3-triethoxysilylpropyl)benzamide
CID 91272770
sodium 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate
CID 23674498
4-(2-deuterioethyl)-N-[(3S)-2-oxopentan-3-yl]benzamide;ethane
CID 91357766
4-(dimethylamino)-N-[1-(4-methylphenyl)propyl]benzamide
CID 24543534
N-[(2R)-1-aminopropan-2-yl]-4-(dimethylamino)benzamide
CID 104877065

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(2-oxopentan-3-yl)benzamide?
The IUPAC name of 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(2-oxopentan-3-yl)benzamide (CID 139481264) is 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(2-oxopentan-3-yl)benzamide.
What is the SMILES notation for 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(2-oxopentan-3-yl)benzamide?
The canonical SMILES for 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(2-oxopentan-3-yl)benzamide is CCC(NC(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1)C(C)=O.
What is the InChIKey of 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(2-oxopentan-3-yl)benzamide?
The InChIKey is KWJMPRSHDRGMDE-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-5-19(14(2)25)21-20(26)15-6-8-16(9-7-15)22-23-17-10-12-18(13-11-17)24(3)4/h6-13,19H,5H2,1-4H3,(H,21,26)/b23-22+.
What are the key properties of 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(2-oxopentan-3-yl)benzamide?
4-[[4-(dimethylamino)phenyl]diazenyl]-N-(2-oxopentan-3-yl)benzamide has a molecular weight of 352.44 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)phenyl]diazenyl]-N-(2-oxopentan-3-yl)benzamide is sourced from PubChem (CID 139481264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).