2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide

C19H21N3O5 — CID 9205694

IUPAC2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H21N3O5/c1-12(2)20-19(24)14-8-4-5-9-15(14)21-18(23)13(3)27-17-11-7-6-10-16(17)22(25)26/h4-13H,1-3H3,(H,20,24)(H,21,23)/t13-/m1/s1
InChIKeyCSUDHZBEQNRRKF-CYBMUJFWSA-N
MW371.39 g/mol
LogP3.14
Rot. Bonds7

About 2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide

2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide (PubChem CID 9205694) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide
PubChem CID9205694
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H21N3O5/c1-12(2)20-19(24)14-8-4-5-9-15(14)21-18(23)13(3)27-17-11-7-6-10-16(17)22(25)26/h4-13H,1-3H3,(H,20,24)(H,21,23)/t13-/m1/s1
InChIKeyCSUDHZBEQNRRKF-CYBMUJFWSA-N
XLogP3.14
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.14
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-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 42579619
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-[2-(4-nitrophenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 4951327
2-nitro-N'-[2-(2-nitrophenoxy)propanoyl]benzohydrazide
CID 4944143
N-cyclohexyl-N-methyl-2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]benzamide
CID 9205655
2-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 3939264
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

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide (CID 9205694) is 2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is CSUDHZBEQNRRKF-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-12(2)20-19(24)14-8-4-5-9-15(14)21-18(23)13(3)27-17-11-7-6-10-16(17)22(25)26/h4-13H,1-3H3,(H,20,24)(H,21,23)/t13-/m1/s1.
What are the key properties of 2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide?
2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 371.39 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(2-nitrophenoxy)propanoyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 9205694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).