N-[5-(diethylamino)-2-[(2,4-dinitro-5-propoxyphenyl)diazenyl]phenyl]acetamide

C21H26N6O6 — CID 10994155

IUPACN-[5-(diethylamino)-2-[(2,4-dinitro-5-propoxyphenyl)diazenyl]phenyl]acetamide
SMILESCCCOc1cc(/N=N/c2ccc(N(CC)CC)cc2NC(C)=O)c([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C21H26N6O6/c1-5-10-33-21-12-18(19(26(29)30)13-20(21)27(31)32)24-23-16-9-8-15(25(6-2)7-3)11-17(16)22-14(4)28/h8-9,11-13H,5-7,10H2,1-4H3,(H,22,28)/b24-23+
InChIKeyNXDRPEYFVHJUKA-WCWDXBQESA-N
MW458.48 g/mol
LogP5.51
Rot. Bonds11

About N-[5-(diethylamino)-2-[(2,4-dinitro-5-propoxyphenyl)diazenyl]phenyl]acetamide

N-[5-(diethylamino)-2-[(2,4-dinitro-5-propoxyphenyl)diazenyl]phenyl]acetamide (PubChem CID 10994155) has the molecular formula C21H26N6O6 and a molecular weight of 458.48 g/mol. Its IUPAC name is N-[5-(diethylamino)-2-[(2,4-dinitro-5-propoxyphenyl)diazenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[5-(diethylamino)-2-[(2,4-dinitro-5-propoxyphenyl)diazenyl]phenyl]acetamide
PubChem CID10994155
Molecular FormulaC21H26N6O6
Molecular Weight458.48 g/mol
Exact Mass458.19
IUPAC NameN-[5-(diethylamino)-2-[(2,4-dinitro-5-propoxyphenyl)diazenyl]phenyl]acetamide
SMILESCCCOc1cc(/N=N/c2ccc(N(CC)CC)cc2NC(C)=O)c([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C21H26N6O6/c1-5-10-33-21-12-18(19(26(29)30)13-20(21)27(31)32)24-23-16-9-8-15(25(6-2)7-3)11-17(16)22-14(4)28/h8-9,11-13H,5-7,10H2,1-4H3,(H,22,28)/b24-23+
InChIKeyNXDRPEYFVHJUKA-WCWDXBQESA-N
XLogP5.51
TPSA152.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.48
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]propanamide
CID 155150461
dimethyl 4-[[2-acetamido-4-(diethylamino)phenyl]diazenyl]-3-nitrobenzene-1,2-dicarboxylate
CID 71558290
3-[3-acetamido-4-[(2,6-dibromo-4-nitrophenyl)diazenyl]-N-ethylanilino]propanoic acid
CID 90954472
[2-[[2-acetamido-4-(diethylamino)phenyl]diazenyl]-3,5-dinitro-4,6-dipentylphenoxy]-hydroxy-oxophosphanium
CID 88801295
N-[5-[bis(2-methoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide
CID 155699021
N-[5-(benzylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-ethoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-[benzyl(2-methoxyethyl)amino]-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-butyl-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide;N-[5-(diethylamino)-2-[(5-fluoro-2,4-dinitrophenyl)diazenyl]phenyl]acetamide
CID 164975401
N-(5-chloro-4-nitro-2-propoxyphenyl)acetamide
CID 2780656
methyl 2-[3-acetamido-4-[(2-bromo-6-chloro-4-nitrophenyl)diazenyl]-N-ethylanilino]acetate
CID 164979565
[5-[[4-(diethylamino)-2-(methanesulfonamido)phenyl]diazenyl]-2,4-dinitrophenyl] thiocyanate
CID 155699076
2-[3-acetamido-N-(2-acetyloxyethyl)-4-[(2-hydroxy-4-nitrophenyl)diazenyl]anilino]ethyl propanoate
CID 135772761
N-[5-(diethylamino)-2-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]phenyl]acetamide
CID 102191514
N,N-dimethyl-3-nitro-4-propoxybenzamide
CID 58723944

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)-2-[(2,4-dinitro-5-propoxyphenyl)diazenyl]phenyl]acetamide?
The IUPAC name of N-[5-(diethylamino)-2-[(2,4-dinitro-5-propoxyphenyl)diazenyl]phenyl]acetamide (CID 10994155) is N-[5-(diethylamino)-2-[(2,4-dinitro-5-propoxyphenyl)diazenyl]phenyl]acetamide.
What is the SMILES notation for N-[5-(diethylamino)-2-[(2,4-dinitro-5-propoxyphenyl)diazenyl]phenyl]acetamide?
The canonical SMILES for N-[5-(diethylamino)-2-[(2,4-dinitro-5-propoxyphenyl)diazenyl]phenyl]acetamide is CCCOc1cc(/N=N/c2ccc(N(CC)CC)cc2NC(C)=O)c([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of N-[5-(diethylamino)-2-[(2,4-dinitro-5-propoxyphenyl)diazenyl]phenyl]acetamide?
The InChIKey is NXDRPEYFVHJUKA-WCWDXBQESA-N. The full InChI is InChI=1S/C21H26N6O6/c1-5-10-33-21-12-18(19(26(29)30)13-20(21)27(31)32)24-23-16-9-8-15(25(6-2)7-3)11-17(16)22-14(4)28/h8-9,11-13H,5-7,10H2,1-4H3,(H,22,28)/b24-23+.
What are the key properties of N-[5-(diethylamino)-2-[(2,4-dinitro-5-propoxyphenyl)diazenyl]phenyl]acetamide?
N-[5-(diethylamino)-2-[(2,4-dinitro-5-propoxyphenyl)diazenyl]phenyl]acetamide has a molecular weight of 458.48 g/mol, XLogP of 5.51, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)-2-[(2,4-dinitro-5-propoxyphenyl)diazenyl]phenyl]acetamide is sourced from PubChem (CID 10994155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).