N-(3-acetamido-2-methylphenyl)-2-(4-nitrophenoxy)acetamide

C17H17N3O5 — CID 134019200

IUPACN-(3-acetamido-2-methylphenyl)-2-(4-nitrophenoxy)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1C
InChIInChI=1S/C17H17N3O5/c1-11-15(18-12(2)21)4-3-5-16(11)19-17(22)10-25-14-8-6-13(7-9-14)20(23)24/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyKOMZILJWWLCTAP-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.88
Rot. Bonds6

About N-(3-acetamido-2-methylphenyl)-2-(4-nitrophenoxy)acetamide

N-(3-acetamido-2-methylphenyl)-2-(4-nitrophenoxy)acetamide (PubChem CID 134019200) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-(3-acetamido-2-methylphenyl)-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-(3-acetamido-2-methylphenyl)-2-(4-nitrophenoxy)acetamide
PubChem CID134019200
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-(3-acetamido-2-methylphenyl)-2-(4-nitrophenoxy)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1C
InChIInChI=1S/C17H17N3O5/c1-11-15(18-12(2)21)4-3-5-16(11)19-17(22)10-25-14-8-6-13(7-9-14)20(23)24/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyKOMZILJWWLCTAP-UHFFFAOYSA-N
XLogP2.88
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.88
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

N-(2-methyl-3-nitrophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632166
N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
N-(3-acetamido-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 134019141
N-(3-acetamido-2-methylphenyl)-2-(4-cyanophenoxy)acetamide
CID 134019347
1-(2,3-dimethylphenyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]urea
CID 24819119
N-(3-acetamido-2-methylphenyl)-2-(2-nitrophenoxy)acetamide
CID 134019256
N-[2-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]butanamide
CID 1293567
N-(2-methylsulfanylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2632387
2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
CID 717631
N-(3-acetamido-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 134019332
N-(3-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 877748
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-nitrophenoxy)acetamide
CID 52702824

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-2-methylphenyl)-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-(3-acetamido-2-methylphenyl)-2-(4-nitrophenoxy)acetamide (CID 134019200) is N-(3-acetamido-2-methylphenyl)-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-(3-acetamido-2-methylphenyl)-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-(3-acetamido-2-methylphenyl)-2-(4-nitrophenoxy)acetamide is CC(=O)Nc1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1C.
What is the InChIKey of N-(3-acetamido-2-methylphenyl)-2-(4-nitrophenoxy)acetamide?
The InChIKey is KOMZILJWWLCTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-11-15(18-12(2)21)4-3-5-16(11)19-17(22)10-25-14-8-6-13(7-9-14)20(23)24/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-(3-acetamido-2-methylphenyl)-2-(4-nitrophenoxy)acetamide?
N-(3-acetamido-2-methylphenyl)-2-(4-nitrophenoxy)acetamide has a molecular weight of 343.34 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-2-methylphenyl)-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 134019200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).