2-(3,4-dimethylphenoxy)-N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]acetamide

C24H22N4O8 — CID 71950693

IUPAC2-(3,4-dimethylphenoxy)-N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]acetamide
SMILESCOc1cc(C=NNC(=O)COc2ccc(C)c(C)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C24H22N4O8/c1-15-4-7-19(10-16(15)2)35-14-24(29)26-25-13-17-5-8-22(23(11-17)34-3)36-21-9-6-18(27(30)31)12-20(21)28(32)33/h4-13H,14H2,1-3H3,(H,26,29)
InChIKeyGXHSGUSIYSBVQG-UHFFFAOYSA-N
MW494.46 g/mol
LogP4.45
Rot. Bonds10

About 2-(3,4-dimethylphenoxy)-N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]acetamide

2-(3,4-dimethylphenoxy)-N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]acetamide (PubChem CID 71950693) has the molecular formula C24H22N4O8 and a molecular weight of 494.46 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]acetamide
PubChem CID71950693
Molecular FormulaC24H22N4O8
Molecular Weight494.46 g/mol
Exact Mass494.14
IUPAC Name2-(3,4-dimethylphenoxy)-N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]acetamide
SMILESCOc1cc(C=NNC(=O)COc2ccc(C)c(C)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C24H22N4O8/c1-15-4-7-19(10-16(15)2)35-14-24(29)26-25-13-17-5-8-22(23(11-17)34-3)36-21-9-6-18(27(30)31)12-20(21)28(32)33/h4-13H,14H2,1-3H3,(H,26,29)
InChIKeyGXHSGUSIYSBVQG-UHFFFAOYSA-N
XLogP4.45
TPSA155.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(3,4-dimethylphenoxy)-N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dimethylphenoxy)-N-[(Z)-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]acetamide
CID 5336629
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 5393475
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 689639
N-[(Z)-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-2-(4-methylanilino)acetamide
CID 41285235
N-[(Z)-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 40963712
2-[4-[(2S)-butan-2-yl]phenoxy]-N-[(Z)-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylideneamino]acetamide
CID 98241255
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 6895231
1-[(Z)-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-3-ethylthiourea
CID 126375833
N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 5446414
N'-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 4520832
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
CID 19165668
[2-methoxy-4-[(Z)-[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 6078682

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]acetamide (CID 71950693) is 2-(3,4-dimethylphenoxy)-N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]acetamide is COc1cc(C=NNC(=O)COc2ccc(C)c(C)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]acetamide?
The InChIKey is GXHSGUSIYSBVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O8/c1-15-4-7-19(10-16(15)2)35-14-24(29)26-25-13-17-5-8-22(23(11-17)34-3)36-21-9-6-18(27(30)31)12-20(21)28(32)33/h4-13H,14H2,1-3H3,(H,26,29).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]acetamide?
2-(3,4-dimethylphenoxy)-N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]acetamide has a molecular weight of 494.46 g/mol, XLogP of 4.45, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]acetamide is sourced from PubChem (CID 71950693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).