N,N-dimethyl-3-phenyldiazenylaniline;formamide

C15H18N4O — CID 175320488

IUPACN,N-dimethyl-3-phenyldiazenylaniline;formamide
SMILESCN(C)c1cccc(/N=N/c2ccccc2)c1.NC=O
InChIInChI=1S/C14H15N3.CH3NO/c1-17(2)14-10-6-9-13(11-14)16-15-12-7-4-3-5-8-12;2-1-3/h3-11H,1-2H3;1H,(H2,2,3)/b16-15+;
InChIKeyLNAMYJIHDXEXSM-GEEYTBSJSA-N
MW270.34 g/mol
LogP3.27
Rot. Bonds3

About N,N-dimethyl-3-phenyldiazenylaniline;formamide

N,N-dimethyl-3-phenyldiazenylaniline;formamide (PubChem CID 175320488) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N,N-dimethyl-3-phenyldiazenylaniline;formamide.

Molecular Properties

Compound NameN,N-dimethyl-3-phenyldiazenylaniline;formamide
PubChem CID175320488
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN,N-dimethyl-3-phenyldiazenylaniline;formamide
SMILESCN(C)c1cccc(/N=N/c2ccccc2)c1.NC=O
InChIInChI=1S/C14H15N3.CH3NO/c1-17(2)14-10-6-9-13(11-14)16-15-12-7-4-3-5-8-12;2-1-3/h3-11H,1-2H3;1H,(H2,2,3)/b16-15+;
InChIKeyLNAMYJIHDXEXSM-GEEYTBSJSA-N
XLogP3.27
TPSA71.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[3-(aminomethyl)phenyl]diazenyl]-N,N-dimethylaniline
CID 88745974
N'-[3-(dimethylamino)phenyl]benzenecarboximidamide
CID 113297943
3-(iminomethylideneamino)-N,N-dimethylaniline
CID 174368516
N-methyl-N-(4-phenyldiazenylphenyl)formamide
CID 20987
3-ethenyl-N,N-dimethyl-4-phenyldiazenylaniline
CID 102247917
acetaldehyde;N,N-dimethylaniline
CID 158535205
N-[N'-[3-(dimethylamino)phenyl]carbamimidoyl]benzamide
CID 142011428
(3-isocyanatophenyl)-phenyldiazene
CID 44721094
ethane;1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine
CID 90858464
N,N-dimethylaniline
CID 70392672
N,N-dimethyl-3-(pyridin-2-ylmethylideneamino)aniline
CID 155931686
N,N-dimethylaniline;phenylmethanamine
CID 159620878

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-phenyldiazenylaniline;formamide?
The IUPAC name of N,N-dimethyl-3-phenyldiazenylaniline;formamide (CID 175320488) is N,N-dimethyl-3-phenyldiazenylaniline;formamide.
What is the SMILES notation for N,N-dimethyl-3-phenyldiazenylaniline;formamide?
The canonical SMILES for N,N-dimethyl-3-phenyldiazenylaniline;formamide is CN(C)c1cccc(/N=N/c2ccccc2)c1.NC=O.
What is the InChIKey of N,N-dimethyl-3-phenyldiazenylaniline;formamide?
The InChIKey is LNAMYJIHDXEXSM-GEEYTBSJSA-N. The full InChI is InChI=1S/C14H15N3.CH3NO/c1-17(2)14-10-6-9-13(11-14)16-15-12-7-4-3-5-8-12;2-1-3/h3-11H,1-2H3;1H,(H2,2,3)/b16-15+;.
What are the key properties of N,N-dimethyl-3-phenyldiazenylaniline;formamide?
N,N-dimethyl-3-phenyldiazenylaniline;formamide has a molecular weight of 270.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-phenyldiazenylaniline;formamide is sourced from PubChem (CID 175320488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).