(2S)-N-(cyclohexylcarbamoyl)-2-(4-nitrophenoxy)propanamide

C16H21N3O5 — CID 7816857

IUPAC(2S)-N-(cyclohexylcarbamoyl)-2-(4-nitrophenoxy)propanamide
SMILESC[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C16H21N3O5/c1-11(24-14-9-7-13(8-10-14)19(22)23)15(20)18-16(21)17-12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H2,17,18,20,21)/t11-/m0/s1
InChIKeyXUQFUNCKDJYDCK-NSHDSACASA-N
MW335.36 g/mol
LogP2.52
Rot. Bonds5

About (2S)-N-(cyclohexylcarbamoyl)-2-(4-nitrophenoxy)propanamide

(2S)-N-(cyclohexylcarbamoyl)-2-(4-nitrophenoxy)propanamide (PubChem CID 7816857) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is (2S)-N-(cyclohexylcarbamoyl)-2-(4-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(cyclohexylcarbamoyl)-2-(4-nitrophenoxy)propanamide
PubChem CID7816857
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Name(2S)-N-(cyclohexylcarbamoyl)-2-(4-nitrophenoxy)propanamide
SMILESC[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C16H21N3O5/c1-11(24-14-9-7-13(8-10-14)19(22)23)15(20)18-16(21)17-12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H2,17,18,20,21)/t11-/m0/s1
InChIKeyXUQFUNCKDJYDCK-NSHDSACASA-N
XLogP2.52
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.52
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-(cyclohexylcarbamoyl)-2-(4-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

(2R)-2-(4-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7816268
(2S)-2-(4-bromophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7815645
(2R)-N-(cyclohexylcarbamoyl)-2-(4-fluorophenoxy)propanamide
CID 7817937
(2S)-2-(4-tert-butylphenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7703486
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-nitrophenoxy)acetate
CID 7770110
4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084651
2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
CID 19203440
(2R)-N-cyclohexyl-2-(4-sulfamoylphenoxy)propanamide
CID 93480668
(2S)-N-cyclohexyl-2-(4-sulfamoylphenoxy)propanamide
CID 93480667
(2R)-N-(cyclohexylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanamide
CID 7777019

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclohexylcarbamoyl)-2-(4-nitrophenoxy)propanamide?
The IUPAC name of (2S)-N-(cyclohexylcarbamoyl)-2-(4-nitrophenoxy)propanamide (CID 7816857) is (2S)-N-(cyclohexylcarbamoyl)-2-(4-nitrophenoxy)propanamide.
What is the SMILES notation for (2S)-N-(cyclohexylcarbamoyl)-2-(4-nitrophenoxy)propanamide?
The canonical SMILES for (2S)-N-(cyclohexylcarbamoyl)-2-(4-nitrophenoxy)propanamide is C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of (2S)-N-(cyclohexylcarbamoyl)-2-(4-nitrophenoxy)propanamide?
The InChIKey is XUQFUNCKDJYDCK-NSHDSACASA-N. The full InChI is InChI=1S/C16H21N3O5/c1-11(24-14-9-7-13(8-10-14)19(22)23)15(20)18-16(21)17-12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H2,17,18,20,21)/t11-/m0/s1.
What are the key properties of (2S)-N-(cyclohexylcarbamoyl)-2-(4-nitrophenoxy)propanamide?
(2S)-N-(cyclohexylcarbamoyl)-2-(4-nitrophenoxy)propanamide has a molecular weight of 335.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclohexylcarbamoyl)-2-(4-nitrophenoxy)propanamide is sourced from PubChem (CID 7816857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).