N-(3-methoxyphenyl)-2-[methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]acetamide

C19H22N4O5 — CID 9198763

IUPACN-(3-methoxyphenyl)-2-[methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1
InChIInChI=1S/C19H22N4O5/c1-13-9-15(23(26)27)7-8-17(13)21-19(25)12-22(2)11-18(24)20-14-5-4-6-16(10-14)28-3/h4-10H,11-12H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyLBWVJSQSSWNWGZ-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.42
Rot. Bonds8

About N-(3-methoxyphenyl)-2-[methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]acetamide

N-(3-methoxyphenyl)-2-[methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]acetamide (PubChem CID 9198763) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]acetamide
PubChem CID9198763
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC NameN-(3-methoxyphenyl)-2-[methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1
InChIInChI=1S/C19H22N4O5/c1-13-9-15(23(26)27)7-8-17(13)21-19(25)12-22(2)11-18(24)20-14-5-4-6-16(10-14)28-3/h4-10H,11-12H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyLBWVJSQSSWNWGZ-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

3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methoxy-4-nitrophenyl)propanamide
CID 38300922
2-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 8778343
2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 9288076
N-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide
CID 2658350
2-[[2-(3,4-dimethylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198587
2-[[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222930
3-methoxy-N-(2-methyl-4-nitrophenyl)benzamide
CID 4992628
2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 8761647
N-(3-methoxyphenyl)-2-[methyl-[2-(4-nitrophenoxy)acetyl]amino]acetamide
CID 9012039
2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methyl-4-nitrophenyl)acetamide
CID 9252111
2-[[2-(3-bromo-4-methylanilino)-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9198492
N-(3-methoxyphenyl)-2-[methyl-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]amino]acetamide
CID 27241090

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]acetamide (CID 9198763) is N-(3-methoxyphenyl)-2-[methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]acetamide is COc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]acetamide?
The InChIKey is LBWVJSQSSWNWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-13-9-15(23(26)27)7-8-17(13)21-19(25)12-22(2)11-18(24)20-14-5-4-6-16(10-14)28-3/h4-10H,11-12H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of N-(3-methoxyphenyl)-2-[methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]acetamide?
N-(3-methoxyphenyl)-2-[methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]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 N-(3-methoxyphenyl)-2-[methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 9198763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).