3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methoxy-4-nitrophenyl)propanamide

C20H24N4O6 — CID 38300922

IUPAC3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methoxy-4-nitrophenyl)propanamide
SMILESCOc1cccc(NC(=O)CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1
InChIInChI=1S/C20H24N4O6/c1-23(13-20(26)21-14-5-4-6-16(11-14)29-2)10-9-19(25)22-17-8-7-15(24(27)28)12-18(17)30-3/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,26)(H,22,25)
InChIKeyOXCJJQFVTYKAGV-UHFFFAOYSA-N
MW416.43 g/mol
LogP2.51
Rot. Bonds10

About 3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methoxy-4-nitrophenyl)propanamide

3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methoxy-4-nitrophenyl)propanamide (PubChem CID 38300922) has the molecular formula C20H24N4O6 and a molecular weight of 416.43 g/mol. Its IUPAC name is 3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methoxy-4-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methoxy-4-nitrophenyl)propanamide
PubChem CID38300922
Molecular FormulaC20H24N4O6
Molecular Weight416.43 g/mol
Exact Mass416.17
IUPAC Name3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methoxy-4-nitrophenyl)propanamide
SMILESCOc1cccc(NC(=O)CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1
InChIInChI=1S/C20H24N4O6/c1-23(13-20(26)21-14-5-4-6-16(11-14)29-2)10-9-19(25)22-17-8-7-15(24(27)28)12-18(17)30-3/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,26)(H,22,25)
InChIKeyOXCJJQFVTYKAGV-UHFFFAOYSA-N
XLogP2.51
TPSA123.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 52.51
H-Bond Donors ≤ 52
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

N-(3-methoxyphenyl)-2-[methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]acetamide
CID 9198763
N-(2-methoxy-4-nitrophenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 26424871
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 38300605
3-[butyl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)propanamide
CID 33403782
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 9196683
2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 26429979
N-(4-methoxyphenyl)-2-[methyl-[2-(3-nitroanilino)-2-oxoethyl]amino]acetamide
CID 2658350
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 27204439
2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 8761647
2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-N-(3-methoxyphenyl)acetamide
CID 3271893
N-(2-methoxy-4-nitrophenyl)-2-(N-methyl-4-phenoxyanilino)acetamide
CID 47092372
methyl 4-(2-methoxy-4-nitroanilino)-4-oxobutanoate
CID 54781631

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methoxy-4-nitrophenyl)propanamide?
The IUPAC name of 3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methoxy-4-nitrophenyl)propanamide (CID 38300922) is 3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methoxy-4-nitrophenyl)propanamide.
What is the SMILES notation for 3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methoxy-4-nitrophenyl)propanamide?
The canonical SMILES for 3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methoxy-4-nitrophenyl)propanamide is COc1cccc(NC(=O)CN(C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c1.
What is the InChIKey of 3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methoxy-4-nitrophenyl)propanamide?
The InChIKey is OXCJJQFVTYKAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O6/c1-23(13-20(26)21-14-5-4-6-16(11-14)29-2)10-9-19(25)22-17-8-7-15(24(27)28)12-18(17)30-3/h4-8,11-12H,9-10,13H2,1-3H3,(H,21,26)(H,22,25).
What are the key properties of 3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methoxy-4-nitrophenyl)propanamide?
3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methoxy-4-nitrophenyl)propanamide has a molecular weight of 416.43 g/mol, XLogP of 2.51, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2-methoxy-4-nitrophenyl)propanamide is sourced from PubChem (CID 38300922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).