(2S)-N-(benzylcarbamoyl)-2-(2-methoxy-5-nitrophenoxy)propanamide

C18H19N3O6 — CID 8947335

IUPAC(2S)-N-(benzylcarbamoyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1O[C@@H](C)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C18H19N3O6/c1-12(27-16-10-14(21(24)25)8-9-15(16)26-2)17(22)20-18(23)19-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H2,19,20,22,23)/t12-/m0/s1
InChIKeyOTLRDTWJIVTJQQ-LBPRGKRZSA-N
MW373.37 g/mol
LogP2.40
Rot. Bonds7

About (2S)-N-(benzylcarbamoyl)-2-(2-methoxy-5-nitrophenoxy)propanamide

(2S)-N-(benzylcarbamoyl)-2-(2-methoxy-5-nitrophenoxy)propanamide (PubChem CID 8947335) has the molecular formula C18H19N3O6 and a molecular weight of 373.37 g/mol. Its IUPAC name is (2S)-N-(benzylcarbamoyl)-2-(2-methoxy-5-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(benzylcarbamoyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
PubChem CID8947335
Molecular FormulaC18H19N3O6
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC Name(2S)-N-(benzylcarbamoyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1O[C@@H](C)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C18H19N3O6/c1-12(27-16-10-14(21(24)25)8-9-15(16)26-2)17(22)20-18(23)19-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H2,19,20,22,23)/t12-/m0/s1
InChIKeyOTLRDTWJIVTJQQ-LBPRGKRZSA-N
XLogP2.40
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-N-(benzylcarbamoyl)-2-(2-methoxy-5-nitrophenoxy)propanamide 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

(2S)-N-(benzylcarbamoyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941527
1-methoxy-4-nitro-2-(4-phenylbutan-2-yloxy)benzene
CID 70163100
(2R)-N-benzyl-N-tert-butyl-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947301
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-nitrophenoxy)propanamide
CID 17374683
(2S)-N-(2-chlorophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947062
(2S)-N-(2-ethoxyphenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947212
(2S)-N-(benzylcarbamoyl)-2-(2-chloro-4-cyanophenoxy)propanamide
CID 9384043
N-[2-(difluoromethoxy)phenyl]-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 46650196
(2S)-N-(benzylcarbamoyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 8949497
(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(4-methoxyphenyl)propanamide
CID 8947121
(2R)-N-(4-bromophenyl)-2-(2-methoxy-5-nitrophenoxy)propanamide
CID 7931785
(2S)-2-(2-methoxy-5-nitrophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 7931851

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(benzylcarbamoyl)-2-(2-methoxy-5-nitrophenoxy)propanamide?
The IUPAC name of (2S)-N-(benzylcarbamoyl)-2-(2-methoxy-5-nitrophenoxy)propanamide (CID 8947335) is (2S)-N-(benzylcarbamoyl)-2-(2-methoxy-5-nitrophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(benzylcarbamoyl)-2-(2-methoxy-5-nitrophenoxy)propanamide?
The canonical SMILES for (2S)-N-(benzylcarbamoyl)-2-(2-methoxy-5-nitrophenoxy)propanamide is COc1ccc([N+](=O)[O-])cc1O[C@@H](C)C(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of (2S)-N-(benzylcarbamoyl)-2-(2-methoxy-5-nitrophenoxy)propanamide?
The InChIKey is OTLRDTWJIVTJQQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19N3O6/c1-12(27-16-10-14(21(24)25)8-9-15(16)26-2)17(22)20-18(23)19-11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H2,19,20,22,23)/t12-/m0/s1.
What are the key properties of (2S)-N-(benzylcarbamoyl)-2-(2-methoxy-5-nitrophenoxy)propanamide?
(2S)-N-(benzylcarbamoyl)-2-(2-methoxy-5-nitrophenoxy)propanamide has a molecular weight of 373.37 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(benzylcarbamoyl)-2-(2-methoxy-5-nitrophenoxy)propanamide is sourced from PubChem (CID 8947335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).