2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide

C19H22N4O5 — CID 8729454

IUPAC2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(C)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H22N4O5/c1-13-4-6-14(7-5-13)20-18(24)11-22(2)12-19(25)21-16-9-8-15(28-3)10-17(16)23(26)27/h4-10H,11-12H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyUZDDGCMQYHULLY-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.42
Rot. Bonds8

About 2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide

2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 8729454) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
PubChem CID8729454
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC Name2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(C)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H22N4O5/c1-13-4-6-14(7-5-13)20-18(24)11-22(2)12-19(25)21-16-9-8-15(28-3)10-17(16)23(26)27/h4-10H,11-12H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyUZDDGCMQYHULLY-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

2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4967870
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9054049
N-(4-methoxy-2-nitrophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 108807672
2-[[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222930
2-[cyclohexyl(methyl)amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4879335
N-(4-methoxy-2-nitrophenyl)-2-(4-methylpyridin-1-ium-1-yl)acetamide
CID 8827015
2-(4-iodoanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4806528
N-(4-chlorophenyl)-2-[[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167207
N-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide
CID 2658350
N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
CID 90848222
2-[(2,5-dimethoxyphenyl)methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8786291
N-(3-methoxyphenyl)-2-[methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]acetamide
CID 9198763

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide (CID 8729454) is 2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide is COc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(C)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is UZDDGCMQYHULLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-13-4-6-14(7-5-13)20-18(24)11-22(2)12-19(25)21-16-9-8-15(28-3)10-17(16)23(26)27/h4-10H,11-12H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of 2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide?
2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)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-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 8729454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).