2-diazo-N'-[(2,4-dimethoxyphenyl)methyl]-N,N-diethyl-N'-phenylpropanediamide

C22H26N4O4 — CID 102421163

IUPAC2-diazo-N'-[(2,4-dimethoxyphenyl)methyl]-N,N-diethyl-N'-phenylpropanediamide
SMILESCCN(CC)C(=O)C(=[N+]=[N-])C(=O)N(Cc1ccc(OC)cc1OC)c1ccccc1
InChIInChI=1S/C22H26N4O4/c1-5-25(6-2)21(27)20(24-23)22(28)26(17-10-8-7-9-11-17)15-16-12-13-18(29-3)14-19(16)30-4/h7-14H,5-6,15H2,1-4H3
InChIKeyPJNHZOYDIDCFBT-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.78
Rot. Bonds9

About 2-diazo-N'-[(2,4-dimethoxyphenyl)methyl]-N,N-diethyl-N'-phenylpropanediamide

2-diazo-N'-[(2,4-dimethoxyphenyl)methyl]-N,N-diethyl-N'-phenylpropanediamide (PubChem CID 102421163) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 2-diazo-N'-[(2,4-dimethoxyphenyl)methyl]-N,N-diethyl-N'-phenylpropanediamide.

Molecular Properties

Compound Name2-diazo-N'-[(2,4-dimethoxyphenyl)methyl]-N,N-diethyl-N'-phenylpropanediamide
PubChem CID102421163
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name2-diazo-N'-[(2,4-dimethoxyphenyl)methyl]-N,N-diethyl-N'-phenylpropanediamide
SMILESCCN(CC)C(=O)C(=[N+]=[N-])C(=O)N(Cc1ccc(OC)cc1OC)c1ccccc1
InChIInChI=1S/C22H26N4O4/c1-5-25(6-2)21(27)20(24-23)22(28)26(17-10-8-7-9-11-17)15-16-12-13-18(29-3)14-19(16)30-4/h7-14H,5-6,15H2,1-4H3
InChIKeyPJNHZOYDIDCFBT-UHFFFAOYSA-N
XLogP2.78
TPSA95.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dimethoxyphenyl)-N,N-diethylacetamide
CID 60651948
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
(2,4-dimethoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170104
N'-(2-cyanoethyl)-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-N'-phenylbutanediamide
CID 56540043
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
N-[(2,4-dimethoxyphenyl)methyl]-2-ethoxy-N-methylbenzamide
CID 18111735
2-(2,4-dimethoxyphenyl)-1-phenylethanone
CID 10467591
N-benzyl-2-(2,4-dimethoxyphenyl)-N-methylacetamide
CID 110767880
3-[2-(2,4-dimethoxyphenyl)ethyl]-1,1-diethylurea
CID 110601497
N-[(2,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-N-methylpropanamide
CID 112790463
3-(N-acetyl-2,4-dimethoxyanilino)-N-ethyl-N-phenylpropanamide
CID 113130135
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468

Frequently Asked Questions

What is the IUPAC name of 2-diazo-N'-[(2,4-dimethoxyphenyl)methyl]-N,N-diethyl-N'-phenylpropanediamide?
The IUPAC name of 2-diazo-N'-[(2,4-dimethoxyphenyl)methyl]-N,N-diethyl-N'-phenylpropanediamide (CID 102421163) is 2-diazo-N'-[(2,4-dimethoxyphenyl)methyl]-N,N-diethyl-N'-phenylpropanediamide.
What is the SMILES notation for 2-diazo-N'-[(2,4-dimethoxyphenyl)methyl]-N,N-diethyl-N'-phenylpropanediamide?
The canonical SMILES for 2-diazo-N'-[(2,4-dimethoxyphenyl)methyl]-N,N-diethyl-N'-phenylpropanediamide is CCN(CC)C(=O)C(=[N+]=[N-])C(=O)N(Cc1ccc(OC)cc1OC)c1ccccc1.
What is the InChIKey of 2-diazo-N'-[(2,4-dimethoxyphenyl)methyl]-N,N-diethyl-N'-phenylpropanediamide?
The InChIKey is PJNHZOYDIDCFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-5-25(6-2)21(27)20(24-23)22(28)26(17-10-8-7-9-11-17)15-16-12-13-18(29-3)14-19(16)30-4/h7-14H,5-6,15H2,1-4H3.
What are the key properties of 2-diazo-N'-[(2,4-dimethoxyphenyl)methyl]-N,N-diethyl-N'-phenylpropanediamide?
2-diazo-N'-[(2,4-dimethoxyphenyl)methyl]-N,N-diethyl-N'-phenylpropanediamide has a molecular weight of 410.47 g/mol, XLogP of 2.78, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diazo-N'-[(2,4-dimethoxyphenyl)methyl]-N,N-diethyl-N'-phenylpropanediamide is sourced from PubChem (CID 102421163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).