N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide

C17H17N3O5 — CID 42579619

IUPACN-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
SMILESCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H17N3O5/c1-11(25-15-10-6-5-9-14(15)20(23)24)16(21)19-13-8-4-3-7-12(13)17(22)18-2/h3-11H,1-2H3,(H,18,22)(H,19,21)/t11-/m1/s1
InChIKeyROCJQFNJFDHGKW-LLVKDONJSA-N
MW343.34 g/mol
LogP2.36
Rot. Bonds6

About N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide

N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide (PubChem CID 42579619) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
PubChem CID42579619
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
SMILESCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H17N3O5/c1-11(25-15-10-6-5-9-14(15)20(23)24)16(21)19-13-8-4-3-7-12(13)17(22)18-2/h3-11H,1-2H3,(H,18,22)(H,19,21)/t11-/m1/s1
InChIKeyROCJQFNJFDHGKW-LLVKDONJSA-N
XLogP2.36
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 ≤ 52.36
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'}

Analyze N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide
CID 9205694
2-[2-(2-nitrophenoxy)propanoylamino]-N-phenylbenzamide
CID 4943701
2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 9205343
N,N-dimethyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 9205670
N-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943656
2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 4944143
2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 4943784
(2R)-N-(4-fluorophenyl)-2-(2-nitrophenoxy)propanamide
CID 7503743
N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
N-cyclohexyl-N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 9205655
2-(2-methoxypropanoylamino)-N-methylbenzamide
CID 47302363
(2R)-N-(2-methyl-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205348

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide?
The IUPAC name of N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide (CID 42579619) is N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide.
What is the SMILES notation for N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide?
The canonical SMILES for N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide is CNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide?
The InChIKey is ROCJQFNJFDHGKW-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-11(25-15-10-6-5-9-14(15)20(23)24)16(21)19-13-8-4-3-7-12(13)17(22)18-2/h3-11H,1-2H3,(H,18,22)(H,19,21)/t11-/m1/s1.
What are the key properties of N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide?
N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide has a molecular weight of 343.34 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide is sourced from PubChem (CID 42579619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).