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

C18H20N4O5 — CID 2658350

IUPACN-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H20N4O5/c1-21(11-17(23)19-13-6-8-16(27-2)9-7-13)12-18(24)20-14-4-3-5-15(10-14)22(25)26/h3-10H,11-12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyOHTNFKQWLUNWII-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.11
Rot. Bonds8

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

N-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide (PubChem CID 2658350) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide
PubChem CID2658350
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC NameN-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H20N4O5/c1-21(11-17(23)19-13-6-8-16(27-2)9-7-13)12-18(24)20-14-4-3-5-15(10-14)22(25)26/h3-10H,11-12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyOHTNFKQWLUNWII-UHFFFAOYSA-N
XLogP2.11
TPSA113.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.11
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-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 8761647
2-[(4-methoxyphenyl)methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]-N-(3-nitrophenyl)acetamide
CID 3933915
2-[[2-(2-chloro-4-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222930
2-(4-methoxyphenoxy)-N-(3-nitrophenyl)acetamide
CID 690203
3-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(3-nitrophenyl)propanamide
CID 78840441
N-(3-methoxyphenyl)-2-[methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]acetamide
CID 9198763
N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-3-nitrobenzamide
CID 9094852
2-[methyl-[(3-nitrophenyl)methyl]amino]-N-phenylacetamide
CID 34020532
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 9104098
3-(4-methoxyphenyl)sulfonyl-N-(3-nitrophenyl)propanamide
CID 4307145
N-(3-chlorophenyl)-2-[[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl]-methylamino]acetamide
CID 37128973
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 8961793

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide (CID 2658350) is N-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide is COc1ccc(NC(=O)CN(C)CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide?
The InChIKey is OHTNFKQWLUNWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-21(11-17(23)19-13-6-8-16(27-2)9-7-13)12-18(24)20-14-4-3-5-15(10-14)22(25)26/h3-10H,11-12H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide?
N-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide has a molecular weight of 372.38 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 2658350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).