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

C18H19N3O5 — CID 9205670

IUPACN,N-dimethyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
SMILESC[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(=O)N(C)C
InChIInChI=1S/C18H19N3O5/c1-12(26-16-11-7-6-10-15(16)21(24)25)17(22)19-14-9-5-4-8-13(14)18(23)20(2)3/h4-12H,1-3H3,(H,19,22)/t12-/m1/s1
InChIKeyNWWQTEOXRYIKNR-GFCCVEGCSA-N
MW357.37 g/mol
LogP2.70
Rot. Bonds6

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

N,N-dimethyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide (PubChem CID 9205670) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
PubChem CID9205670
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN,N-dimethyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
SMILESC[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(=O)N(C)C
InChIInChI=1S/C18H19N3O5/c1-12(26-16-11-7-6-10-15(16)21(24)25)17(22)19-14-9-5-4-8-13(14)18(23)20(2)3/h4-12H,1-3H3,(H,19,22)/t12-/m1/s1
InChIKeyNWWQTEOXRYIKNR-GFCCVEGCSA-N
XLogP2.70
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.70
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

2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 9205343
2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide
CID 9205694
N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 42579619
N-cyclohexyl-N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 9205655
2-[2-(2-nitrophenoxy)propanoylamino]-N-phenylbenzamide
CID 4943701
N-(2-chlorophenyl)-2-(2-nitrophenoxy)propanamide
CID 4943656
2-(2-nitrophenoxy)-N-(2,4,5-trichlorophenyl)propanamide
CID 4943784
2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 4944143
N-(4-acetamidophenyl)-2-(2-nitrophenoxy)propanamide
CID 4810380
(2R)-N-(2-methyl-5-nitrophenyl)-2-(2-nitrophenoxy)propanamide
CID 9205348
(2R)-N-(4-methylphenyl)-2-(2-nitrophenoxy)propanamide
CID 7503574
(2R)-N-(4-fluorophenyl)-2-(2-nitrophenoxy)propanamide
CID 7503743

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide (CID 9205670) is N,N-dimethyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide is C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide?
The InChIKey is NWWQTEOXRYIKNR-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-12(26-16-11-7-6-10-15(16)21(24)25)17(22)19-14-9-5-4-8-13(14)18(23)20(2)3/h4-12H,1-3H3,(H,19,22)/t12-/m1/s1.
What are the key properties of N,N-dimethyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide?
N,N-dimethyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide has a molecular weight of 357.37 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide is sourced from PubChem (CID 9205670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).