N'-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide

C24H21N5O9 — CID 4176565

IUPACN'-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C24H21N5O9/c1-3-37-19-7-5-4-6-17(19)26-23(30)24(31)27-25-14-15-8-10-21(22(12-15)36-2)38-20-11-9-16(28(32)33)13-18(20)29(34)35/h4-14H,3H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyIAKOIHPWIXBEMT-UHFFFAOYSA-N
MW523.46 g/mol
LogP3.79
Rot. Bonds10

About N'-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide

N'-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide (PubChem CID 4176565) has the molecular formula C24H21N5O9 and a molecular weight of 523.46 g/mol. Its IUPAC name is N'-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
PubChem CID4176565
Molecular FormulaC24H21N5O9
Molecular Weight523.46 g/mol
Exact Mass523.13
IUPAC NameN'-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C24H21N5O9/c1-3-37-19-7-5-4-6-17(19)26-23(30)24(31)27-25-14-15-8-10-21(22(12-15)36-2)38-20-11-9-16(28(32)33)13-18(20)29(34)35/h4-14H,3H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyIAKOIHPWIXBEMT-UHFFFAOYSA-N
XLogP3.79
TPSA184.53 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-(2,4-dimethoxyphenyl)-N'-[[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylideneamino]oxamide
CID 3439234
N'-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 4520832
N-[4-(cyanomethyl)phenyl]-N'-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]oxamide
CID 4598186
N-[[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylideneamino]-2-(2-methylanilino)acetamide
CID 5131261
N-(2-ethoxyphenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 135554201
3-bromo-N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]benzamide
CID 71951551
N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 3381074
N-[(E)-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657887
N-[(Z)-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 40963712
1-[(Z)-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-3-ethylthiourea
CID 126375833
2-(2,3-dimethylphenoxy)-N-[(Z)-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]acetamide
CID 5336629
N-[2-[[[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide
CID 4278661

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide?
The IUPAC name of N'-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide (CID 4176565) is N'-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide.
What is the SMILES notation for N'-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide?
The canonical SMILES for N'-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide is CCOc1ccccc1NC(=O)C(=O)NN=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1.
What is the InChIKey of N'-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide?
The InChIKey is IAKOIHPWIXBEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O9/c1-3-37-19-7-5-4-6-17(19)26-23(30)24(31)27-25-14-15-8-10-21(22(12-15)36-2)38-20-11-9-16(28(32)33)13-18(20)29(34)35/h4-14H,3H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N'-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide?
N'-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide has a molecular weight of 523.46 g/mol, XLogP of 3.79, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-N-(2-ethoxyphenyl)oxamide is sourced from PubChem (CID 4176565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).