(2S)-2-(4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide

C14H18N2O5 — CID 7354724

IUPAC(2S)-2-(4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESC[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C14H18N2O5/c1-10(14(17)15-9-13-3-2-8-20-13)21-12-6-4-11(5-7-12)16(18)19/h4-7,10,13H,2-3,8-9H2,1H3,(H,15,17)/t10-,13+/m0/s1
InChIKeyRIGKPBKPPIVLOS-GXFFZTMASA-N
MW294.31 g/mol
LogP1.66
Rot. Bonds6

About (2S)-2-(4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide

(2S)-2-(4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide (PubChem CID 7354724) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is (2S)-2-(4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
PubChem CID7354724
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name(2S)-2-(4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESC[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C14H18N2O5/c1-10(14(17)15-9-13-3-2-8-20-13)21-12-6-4-11(5-7-12)16(18)19/h4-7,10,13H,2-3,8-9H2,1H3,(H,15,17)/t10-,13+/m0/s1
InChIKeyRIGKPBKPPIVLOS-GXFFZTMASA-N
XLogP1.66
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.66
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'}

Analyze (2S)-2-(4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]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-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 837819
(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 925185
(2S)-2-(4-nitrophenyl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 894829
(2R)-2-(4-tert-butylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 1301403
(2S)-2-(4-nitrophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]propanamide
CID 9295896
(2R)-2-(4-chloro-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7394619
(2S)-2-[methyl-[(4-nitrophenyl)methyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 97213864
2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 19203851
N-ethyl-2-(4-nitrophenoxy)propanamide
CID 4951333
2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 2932985
N'-(4-nitrophenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7323851
(2R)-2-(2,3-dimethylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 28984853

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2S)-2-(4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide (CID 7354724) is (2S)-2-(4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-(4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-(4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide is C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H]1CCCO1.
What is the InChIKey of (2S)-2-(4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The InChIKey is RIGKPBKPPIVLOS-GXFFZTMASA-N. The full InChI is InChI=1S/C14H18N2O5/c1-10(14(17)15-9-13-3-2-8-20-13)21-12-6-4-11(5-7-12)16(18)19/h4-7,10,13H,2-3,8-9H2,1H3,(H,15,17)/t10-,13+/m0/s1.
What are the key properties of (2S)-2-(4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
(2S)-2-(4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide has a molecular weight of 294.31 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 7354724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).