(2S)-N-(benzylcarbamoyl)-2-(4-methyl-2-nitrophenoxy)propanamide

C18H19N3O5 — CID 8941527

IUPAC(2S)-N-(benzylcarbamoyl)-2-(4-methyl-2-nitrophenoxy)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)NC(=O)NCc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O5/c1-12-8-9-16(15(10-12)21(24)25)26-13(2)17(22)20-18(23)19-11-14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H2,19,20,22,23)/t13-/m0/s1
InChIKeyMHMQIIWHFPKACL-ZDUSSCGKSA-N
MW357.37 g/mol
LogP2.70
Rot. Bonds6

About (2S)-N-(benzylcarbamoyl)-2-(4-methyl-2-nitrophenoxy)propanamide

(2S)-N-(benzylcarbamoyl)-2-(4-methyl-2-nitrophenoxy)propanamide (PubChem CID 8941527) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is (2S)-N-(benzylcarbamoyl)-2-(4-methyl-2-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(benzylcarbamoyl)-2-(4-methyl-2-nitrophenoxy)propanamide
PubChem CID8941527
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name(2S)-N-(benzylcarbamoyl)-2-(4-methyl-2-nitrophenoxy)propanamide
SMILESCc1ccc(O[C@@H](C)C(=O)NC(=O)NCc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O5/c1-12-8-9-16(15(10-12)21(24)25)26-13(2)17(22)20-18(23)19-11-14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H2,19,20,22,23)/t13-/m0/s1
InChIKeyMHMQIIWHFPKACL-ZDUSSCGKSA-N
XLogP2.70
TPSA110.57 Ų
H-Bond Donors2
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 ≤ 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 (2S)-N-(benzylcarbamoyl)-2-(4-methyl-2-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-(2-methoxy-5-nitrophenoxy)propanamide
CID 8947335
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941293
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-nitrophenoxy)acetate
CID 55417869
(2R)-2-(4-methyl-2-nitrophenoxy)-N-(3-methylphenyl)propanamide
CID 8562253
(2S)-N-(2-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941027
(2S)-N-(2-ethoxyphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941253
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate
CID 46619422
(2S)-N-(benzylcarbamoyl)-2-(2-chloro-4-cyanophenoxy)propanamide
CID 9384043
N-methyl-2-[4-(methylaminomethyl)-2-nitrophenoxy]propanamide
CID 43277695
(2S)-N-(4-chlorophenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8562600
(2R)-N-(2-bromo-4-methylphenyl)-2-(4-methyl-2-nitrophenoxy)propanamide
CID 8941347
(2R)-N-(benzylcarbamoyl)-2-(3,4-difluorophenoxy)propanamide
CID 8578127

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(benzylcarbamoyl)-2-(4-methyl-2-nitrophenoxy)propanamide?
The IUPAC name of (2S)-N-(benzylcarbamoyl)-2-(4-methyl-2-nitrophenoxy)propanamide (CID 8941527) is (2S)-N-(benzylcarbamoyl)-2-(4-methyl-2-nitrophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(benzylcarbamoyl)-2-(4-methyl-2-nitrophenoxy)propanamide?
The canonical SMILES for (2S)-N-(benzylcarbamoyl)-2-(4-methyl-2-nitrophenoxy)propanamide is Cc1ccc(O[C@@H](C)C(=O)NC(=O)NCc2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of (2S)-N-(benzylcarbamoyl)-2-(4-methyl-2-nitrophenoxy)propanamide?
The InChIKey is MHMQIIWHFPKACL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-12-8-9-16(15(10-12)21(24)25)26-13(2)17(22)20-18(23)19-11-14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H2,19,20,22,23)/t13-/m0/s1.
What are the key properties of (2S)-N-(benzylcarbamoyl)-2-(4-methyl-2-nitrophenoxy)propanamide?
(2S)-N-(benzylcarbamoyl)-2-(4-methyl-2-nitrophenoxy)propanamide has a molecular weight of 357.37 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(benzylcarbamoyl)-2-(4-methyl-2-nitrophenoxy)propanamide is sourced from PubChem (CID 8941527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).