(Z)-N-(4-acetamido-2-methoxyphenyl)-2-[(4-butylphenyl)diazenyl]-3-hydroxybut-2-enamide

C23H28N4O4 — CID 135501778

IUPAC(Z)-N-(4-acetamido-2-methoxyphenyl)-2-[(4-butylphenyl)diazenyl]-3-hydroxybut-2-enamide
SMILESCCCCc1ccc(/N=N/C(C(=O)Nc2ccc(NC(C)=O)cc2OC)=C(/C)O)cc1
InChIInChI=1S/C23H28N4O4/c1-5-6-7-17-8-10-18(11-9-17)26-27-22(15(2)28)23(30)25-20-13-12-19(24-16(3)29)14-21(20)31-4/h8-14,28H,5-7H2,1-4H3,(H,24,29)(H,25,30)/b22-15-,27-26+
InChIKeyZZCOIMLZYGAMMT-AJFVATKSSA-N
MW424.50 g/mol
LogP5.51
Rot. Bonds9

About (Z)-N-(4-acetamido-2-methoxyphenyl)-2-[(4-butylphenyl)diazenyl]-3-hydroxybut-2-enamide

(Z)-N-(4-acetamido-2-methoxyphenyl)-2-[(4-butylphenyl)diazenyl]-3-hydroxybut-2-enamide (PubChem CID 135501778) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is (Z)-N-(4-acetamido-2-methoxyphenyl)-2-[(4-butylphenyl)diazenyl]-3-hydroxybut-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-acetamido-2-methoxyphenyl)-2-[(4-butylphenyl)diazenyl]-3-hydroxybut-2-enamide
PubChem CID135501778
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name(Z)-N-(4-acetamido-2-methoxyphenyl)-2-[(4-butylphenyl)diazenyl]-3-hydroxybut-2-enamide
SMILESCCCCc1ccc(/N=N/C(C(=O)Nc2ccc(NC(C)=O)cc2OC)=C(/C)O)cc1
InChIInChI=1S/C23H28N4O4/c1-5-6-7-17-8-10-18(11-9-17)26-27-22(15(2)28)23(30)25-20-13-12-19(24-16(3)29)14-21(20)31-4/h8-14,28H,5-7H2,1-4H3,(H,24,29)(H,25,30)/b22-15-,27-26+
InChIKeyZZCOIMLZYGAMMT-AJFVATKSSA-N
XLogP5.51
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-acetamido-4-methoxyphenyl)-4-butylbenzamide
CID 24666778
(2S)-N-(4-acetamido-2-methoxyphenyl)-2-methylhexanamide
CID 100726850
2-(4-butylphenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]acetamide
CID 55624153
N-[4-(diethylcarbamoylamino)-2-methoxyphenyl]acetamide
CID 47222814
N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
CID 5120447
N-(4-butylphenyl)-2,4,5-trimethoxybenzamide
CID 9442098
4-[(4-butylphenyl)diazenyl]-N-methylaniline
CID 129106039
N-[3-(4-butylbenzoyl)-4-hydrazinylphenyl]acetamide
CID 154008662
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
4-ethyl-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2993875
5-[(4-butylphenyl)diazenyl]-2-hydroxy-3-methoxybenzaldehyde
CID 139070161
(Z)-N-(4-chlorophenyl)-3-hydroxy-2-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]diazenyl]but-2-enamide
CID 135815638

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-acetamido-2-methoxyphenyl)-2-[(4-butylphenyl)diazenyl]-3-hydroxybut-2-enamide?
The IUPAC name of (Z)-N-(4-acetamido-2-methoxyphenyl)-2-[(4-butylphenyl)diazenyl]-3-hydroxybut-2-enamide (CID 135501778) is (Z)-N-(4-acetamido-2-methoxyphenyl)-2-[(4-butylphenyl)diazenyl]-3-hydroxybut-2-enamide.
What is the SMILES notation for (Z)-N-(4-acetamido-2-methoxyphenyl)-2-[(4-butylphenyl)diazenyl]-3-hydroxybut-2-enamide?
The canonical SMILES for (Z)-N-(4-acetamido-2-methoxyphenyl)-2-[(4-butylphenyl)diazenyl]-3-hydroxybut-2-enamide is CCCCc1ccc(/N=N/C(C(=O)Nc2ccc(NC(C)=O)cc2OC)=C(/C)O)cc1.
What is the InChIKey of (Z)-N-(4-acetamido-2-methoxyphenyl)-2-[(4-butylphenyl)diazenyl]-3-hydroxybut-2-enamide?
The InChIKey is ZZCOIMLZYGAMMT-AJFVATKSSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-5-6-7-17-8-10-18(11-9-17)26-27-22(15(2)28)23(30)25-20-13-12-19(24-16(3)29)14-21(20)31-4/h8-14,28H,5-7H2,1-4H3,(H,24,29)(H,25,30)/b22-15-,27-26+.
What are the key properties of (Z)-N-(4-acetamido-2-methoxyphenyl)-2-[(4-butylphenyl)diazenyl]-3-hydroxybut-2-enamide?
(Z)-N-(4-acetamido-2-methoxyphenyl)-2-[(4-butylphenyl)diazenyl]-3-hydroxybut-2-enamide has a molecular weight of 424.50 g/mol, XLogP of 5.51, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-acetamido-2-methoxyphenyl)-2-[(4-butylphenyl)diazenyl]-3-hydroxybut-2-enamide is sourced from PubChem (CID 135501778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).