2-(2-methoxy-5-nitroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide

C19H22N4O5 — CID 26505669

IUPAC2-(2-methoxy-5-nitroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NCC(=O)N(C)CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C19H22N4O5/c1-13-4-6-14(7-5-13)21-18(24)12-22(2)19(25)11-20-16-10-15(23(26)27)8-9-17(16)28-3/h4-10,20H,11-12H2,1-3H3,(H,21,24)
InChIKeyHGHQCBXMMBQCNA-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.42
Rot. Bonds8

About 2-(2-methoxy-5-nitroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide

2-(2-methoxy-5-nitroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide (PubChem CID 26505669) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-(2-methoxy-5-nitroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-5-nitroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
PubChem CID26505669
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC Name2-(2-methoxy-5-nitroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
SMILESCOc1ccc([N+](=O)[O-])cc1NCC(=O)N(C)CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C19H22N4O5/c1-13-4-6-14(7-5-13)21-18(24)12-22(2)19(25)11-20-16-10-15(23(26)27)8-9-17(16)28-3/h4-10,20H,11-12H2,1-3H3,(H,21,24)
InChIKeyHGHQCBXMMBQCNA-UHFFFAOYSA-N
XLogP2.42
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(cyanomethyl)phenyl]-2-(2-methoxy-5-nitroanilino)acetamide
CID 26505664
N-(3,5-dichlorophenyl)-2-(2-methoxy-5-nitroanilino)acetamide
CID 9079831
2-(2,4-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9081065
2-(2-chloro-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9099396
2-[methyl-[2-(4-nitrophenyl)sulfanylacetyl]amino]-N-(4-methylphenyl)acetamide
CID 9494019
2-(4-bromoanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 7535590
2-(4-fluoroanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9098658
2-(2-methoxy-5-nitroanilino)-N-(2-methyl-3-nitrophenyl)acetamide
CID 26415999
4-(butanoylamino)-N-(2-methoxy-5-nitrophenyl)benzamide
CID 2162625
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 1302805
N-(2-methoxyphenyl)-4-[[2-(2-methyl-5-nitroanilino)acetyl]amino]benzamide
CID 18266904
2-(5-acetamido-2-chloroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 56512821

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-nitroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(2-methoxy-5-nitroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide (CID 26505669) is 2-(2-methoxy-5-nitroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(2-methoxy-5-nitroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(2-methoxy-5-nitroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide is COc1ccc([N+](=O)[O-])cc1NCC(=O)N(C)CC(=O)Nc1ccc(C)cc1.
What is the InChIKey of 2-(2-methoxy-5-nitroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
The InChIKey is HGHQCBXMMBQCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-13-4-6-14(7-5-13)21-18(24)12-22(2)19(25)11-20-16-10-15(23(26)27)8-9-17(16)28-3/h4-10,20H,11-12H2,1-3H3,(H,21,24).
What are the key properties of 2-(2-methoxy-5-nitroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide?
2-(2-methoxy-5-nitroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide has a molecular weight of 386.41 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-nitroanilino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 26505669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).