N-(4-methoxyphenyl)-3-(5-methyl-2-nitrophenoxy)propanamide

C17H18N2O5 — CID 38763636

IUPACN-(4-methoxyphenyl)-3-(5-methyl-2-nitrophenoxy)propanamide
SMILESCOc1ccc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H18N2O5/c1-12-3-8-15(19(21)22)16(11-12)24-10-9-17(20)18-13-4-6-14(23-2)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyVPERDQQAQBIAAA-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.32
Rot. Bonds7

About N-(4-methoxyphenyl)-3-(5-methyl-2-nitrophenoxy)propanamide

N-(4-methoxyphenyl)-3-(5-methyl-2-nitrophenoxy)propanamide (PubChem CID 38763636) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(5-methyl-2-nitrophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(5-methyl-2-nitrophenoxy)propanamide
PubChem CID38763636
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC NameN-(4-methoxyphenyl)-3-(5-methyl-2-nitrophenoxy)propanamide
SMILESCOc1ccc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1
InChIInChI=1S/C17H18N2O5/c1-12-3-8-15(19(21)22)16(11-12)24-10-9-17(20)18-13-4-6-14(23-2)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyVPERDQQAQBIAAA-UHFFFAOYSA-N
XLogP3.32
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-chlorophenoxy)-N-(4-methoxy-3-nitrophenyl)propanamide
CID 108790150
3-(5-methoxy-2-nitrophenoxy)propanoic acid
CID 102702530
4-(5-methoxy-2-nitrophenoxy)butanoic acid
CID 102702553
2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8729454
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate
CID 29143794
4-(5-methoxy-2-nitrophenoxy)butanehydrazide
CID 102703730
3-(2,5-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 26914656
2-(3-ethoxy-N-methyl-4-nitroanilino)-N-(4-methylphenyl)acetamide
CID 133424491
4-(2-bromo-4-methylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide
CID 19202501
2-(5-methyl-2-nitrophenoxy)ethyl acetate
CID 10082949
1-(2,4-dimethoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone
CID 31885361
N-(2,5-dimethoxyphenyl)-3-(2,5-dimethylphenoxy)propanamide
CID 2452955

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(5-methyl-2-nitrophenoxy)propanamide?
The IUPAC name of N-(4-methoxyphenyl)-3-(5-methyl-2-nitrophenoxy)propanamide (CID 38763636) is N-(4-methoxyphenyl)-3-(5-methyl-2-nitrophenoxy)propanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(5-methyl-2-nitrophenoxy)propanamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-(5-methyl-2-nitrophenoxy)propanamide is COc1ccc(NC(=O)CCOc2cc(C)ccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(5-methyl-2-nitrophenoxy)propanamide?
The InChIKey is VPERDQQAQBIAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-12-3-8-15(19(21)22)16(11-12)24-10-9-17(20)18-13-4-6-14(23-2)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-(4-methoxyphenyl)-3-(5-methyl-2-nitrophenoxy)propanamide?
N-(4-methoxyphenyl)-3-(5-methyl-2-nitrophenoxy)propanamide has a molecular weight of 330.34 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(5-methyl-2-nitrophenoxy)propanamide is sourced from PubChem (CID 38763636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).