2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]acetic acid

C17H18N4O3 — CID 39846636

IUPAC2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]acetic acid
SMILESCN(C)c1ccc(/N=N/c2ccc(C(=O)NCC(=O)O)cc2)cc1
InChIInChI=1S/C17H18N4O3/c1-21(2)15-9-7-14(8-10-15)20-19-13-5-3-12(4-6-13)17(24)18-11-16(22)23/h3-10H,11H2,1-2H3,(H,18,24)(H,22,23)/b20-19+
InChIKeyCJWMQZHWLJMCAQ-FMQUCBEESA-N
MW326.36 g/mol
LogP2.98
Rot. Bonds6

About 2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]acetic acid

2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]acetic acid (PubChem CID 39846636) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]acetic acid
PubChem CID39846636
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]acetic acid
SMILESCN(C)c1ccc(/N=N/c2ccc(C(=O)NCC(=O)O)cc2)cc1
InChIInChI=1S/C17H18N4O3/c1-21(2)15-9-7-14(8-10-15)20-19-13-5-3-12(4-6-13)17(24)18-11-16(22)23/h3-10H,11H2,1-2H3,(H,18,24)(H,22,23)/b20-19+
InChIKeyCJWMQZHWLJMCAQ-FMQUCBEESA-N
XLogP2.98
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
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

N-(3-aminopropyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzamide
CID 155404148
methyl 2-[[4-(dimethylamino)benzoyl]amino]acetate
CID 27682246
4-(dimethylamino)-N-(3-methyl-2-oxobutyl)benzamide
CID 64997091
N-(2-benzamidoethyl)-4-(dimethylamino)benzamide
CID 38175898
1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]propan-1-one
CID 58678925
4-[[4-(dimethylamino)phenyl]diazenyl]-N-(3-triethoxysilylpropyl)benzamide
CID 91272770
4-[[4-(dimethylamino)benzoyl]amino]butanoic acid
CID 10658325
sodium 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate
CID 23674498
4-[[4-(dimethylamino)phenyl]diazenyl]-N-(2-oxopentan-3-yl)benzamide
CID 139481264
4-(carboxymethylcarbamoyl)benzoic acid
CID 166957862
2-[[4-[[4-(diethylamino)phenyl]methylideneamino]benzoyl]amino]acetic acid
CID 7207787
4-[[4-(dimethylamino)benzoyl]amino]-3-methylbutanoic acid
CID 81064641

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]acetic acid (CID 39846636) is 2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]acetic acid is CN(C)c1ccc(/N=N/c2ccc(C(=O)NCC(=O)O)cc2)cc1.
What is the InChIKey of 2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]acetic acid?
The InChIKey is CJWMQZHWLJMCAQ-FMQUCBEESA-N. The full InChI is InChI=1S/C17H18N4O3/c1-21(2)15-9-7-14(8-10-15)20-19-13-5-3-12(4-6-13)17(24)18-11-16(22)23/h3-10H,11H2,1-2H3,(H,18,24)(H,22,23)/b20-19+.
What are the key properties of 2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]acetic acid?
2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]acetic acid has a molecular weight of 326.36 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[4-(dimethylamino)phenyl]diazenyl]benzoyl]amino]acetic acid is sourced from PubChem (CID 39846636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).