2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide

C18H19N3O5 — CID 1295054

IUPAC2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H19N3O5/c1-12(2)18(23)20-14-5-3-13(4-6-14)19-17(22)11-26-16-9-7-15(8-10-16)21(24)25/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyBYBVPFGVJBVVEP-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.21
Rot. Bonds7

About 2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide

2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide (PubChem CID 1295054) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
PubChem CID1295054
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C18H19N3O5/c1-12(2)18(23)20-14-5-3-13(4-6-14)19-17(22)11-26-16-9-7-15(8-10-16)21(24)25/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyBYBVPFGVJBVVEP-UHFFFAOYSA-N
XLogP3.21
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
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

2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide
CID 17204846
2-(4-nitrophenoxy)-N-phenylacetamide
CID 923397
4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide
CID 10646566
N-(4-nitrophenyl)-2-(4-propanoylphenoxy)acetamide
CID 9395370
N-[3-[[2-(3,5-dinitrophenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 21213315
2-methyl-N-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]propanamide
CID 26907045
N-[4-[[2-(4-acetylphenoxy)acetyl]amino]phenyl]-2-methylpropanamide
CID 26907063
N-[(4-nitrophenyl)carbamoyl]-2-[4-[2-[(4-nitrophenyl)carbamoylamino]-2-oxoethoxy]phenoxy]acetamide
CID 11981942
2-(3,4-dimethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 4930992
N-[4-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 1416689
2-[4-[[2-(4-nitrophenyl)acetyl]amino]phenoxy]acetate
CID 2231936

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide (CID 1295054) is 2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide is CC(C)C(=O)Nc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide?
The InChIKey is BYBVPFGVJBVVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-12(2)18(23)20-14-5-3-13(4-6-14)19-17(22)11-26-16-9-7-15(8-10-16)21(24)25/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide?
2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide has a molecular weight of 357.37 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]propanamide is sourced from PubChem (CID 1295054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).