2-(5-acetamido-2-methoxyanilino)-N-(4-methoxy-2-nitrophenyl)acetamide

C18H20N4O6 — CID 42068751

IUPAC2-(5-acetamido-2-methoxyanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2cc(NC(C)=O)ccc2OC)c([N+](=O)[O-])c1
InChIInChI=1S/C18H20N4O6/c1-11(23)20-12-4-7-17(28-3)15(8-12)19-10-18(24)21-14-6-5-13(27-2)9-16(14)22(25)26/h4-9,19H,10H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyLQQNDCRHSIGHLS-UHFFFAOYSA-N
MW388.38 g/mol
LogP2.62
Rot. Bonds8

About 2-(5-acetamido-2-methoxyanilino)-N-(4-methoxy-2-nitrophenyl)acetamide

2-(5-acetamido-2-methoxyanilino)-N-(4-methoxy-2-nitrophenyl)acetamide (PubChem CID 42068751) has the molecular formula C18H20N4O6 and a molecular weight of 388.38 g/mol. Its IUPAC name is 2-(5-acetamido-2-methoxyanilino)-N-(4-methoxy-2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(5-acetamido-2-methoxyanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
PubChem CID42068751
Molecular FormulaC18H20N4O6
Molecular Weight388.38 g/mol
Exact Mass388.14
IUPAC Name2-(5-acetamido-2-methoxyanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
SMILESCOc1ccc(NC(=O)CNc2cc(NC(C)=O)ccc2OC)c([N+](=O)[O-])c1
InChIInChI=1S/C18H20N4O6/c1-11(23)20-12-4-7-17(28-3)15(8-12)19-10-18(24)21-14-6-5-13(27-2)9-16(14)22(25)26/h4-9,19H,10H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyLQQNDCRHSIGHLS-UHFFFAOYSA-N
XLogP2.62
TPSA131.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-acetamido-2-(trifluoromethyl)anilino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 37175471
2-(4-iodoanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4806528
2-(2-acetylanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9103856
N-(5-acetamido-2-methoxyphenyl)-2-(3-methyl-4-nitrophenoxy)acetamide
CID 8648202
2-(2-chloro-4-fluoroanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9099548
2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 26416386
N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 31983699
2-(5-acetamido-2-methoxyanilino)-N-[bis(4-methoxyphenyl)methyl]acetamide
CID 55437408
2-(5-acetamido-2-fluoroanilino)-N-(5-acetamido-2-methoxyphenyl)acetamide
CID 37279177
2-(2,6-dimethylphenoxy)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 19170502
N-(4-methoxy-2-nitrophenyl)-2-(2-methoxyphenyl)acetamide
CID 3375188
N-(4-methoxy-2-nitrophenyl)-2-(2-phenylsulfanylanilino)acetamide
CID 24583260

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-2-methoxyanilino)-N-(4-methoxy-2-nitrophenyl)acetamide?
The IUPAC name of 2-(5-acetamido-2-methoxyanilino)-N-(4-methoxy-2-nitrophenyl)acetamide (CID 42068751) is 2-(5-acetamido-2-methoxyanilino)-N-(4-methoxy-2-nitrophenyl)acetamide.
What is the SMILES notation for 2-(5-acetamido-2-methoxyanilino)-N-(4-methoxy-2-nitrophenyl)acetamide?
The canonical SMILES for 2-(5-acetamido-2-methoxyanilino)-N-(4-methoxy-2-nitrophenyl)acetamide is COc1ccc(NC(=O)CNc2cc(NC(C)=O)ccc2OC)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(5-acetamido-2-methoxyanilino)-N-(4-methoxy-2-nitrophenyl)acetamide?
The InChIKey is LQQNDCRHSIGHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O6/c1-11(23)20-12-4-7-17(28-3)15(8-12)19-10-18(24)21-14-6-5-13(27-2)9-16(14)22(25)26/h4-9,19H,10H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 2-(5-acetamido-2-methoxyanilino)-N-(4-methoxy-2-nitrophenyl)acetamide?
2-(5-acetamido-2-methoxyanilino)-N-(4-methoxy-2-nitrophenyl)acetamide has a molecular weight of 388.38 g/mol, XLogP of 2.62, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-2-methoxyanilino)-N-(4-methoxy-2-nitrophenyl)acetamide is sourced from PubChem (CID 42068751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).