(2R)-N'-(2-nitrophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]propanehydrazide

C14H19N3O5 — CID 95281197

IUPAC(2R)-N'-(2-nitrophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]propanehydrazide
SMILESC[C@@H](OC[C@H]1CCCO1)C(=O)NNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O5/c1-10(22-9-11-5-4-8-21-11)14(18)16-15-12-6-2-3-7-13(12)17(19)20/h2-3,6-7,10-11,15H,4-5,8-9H2,1H3,(H,16,18)/t10-,11-/m1/s1
InChIKeyIZWUEYOHKCOUPF-GHMZBOCLSA-N
MW309.32 g/mol
LogP1.62
Rot. Bonds7

About (2R)-N'-(2-nitrophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]propanehydrazide

(2R)-N'-(2-nitrophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]propanehydrazide (PubChem CID 95281197) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is (2R)-N'-(2-nitrophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]propanehydrazide.

Molecular Properties

Compound Name(2R)-N'-(2-nitrophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]propanehydrazide
PubChem CID95281197
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name(2R)-N'-(2-nitrophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]propanehydrazide
SMILESC[C@@H](OC[C@H]1CCCO1)C(=O)NNc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O5/c1-10(22-9-11-5-4-8-21-11)14(18)16-15-12-6-2-3-7-13(12)17(19)20/h2-3,6-7,10-11,15H,4-5,8-9H2,1H3,(H,16,18)/t10-,11-/m1/s1
InChIKeyIZWUEYOHKCOUPF-GHMZBOCLSA-N
XLogP1.62
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.62
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'}

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Related Compounds

(2S)-2-[[(2S)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823131
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-(2-propan-2-yloxyphenyl)propanamide
CID 94823133
4-fluoro-N'-[2-(oxolan-2-ylmethoxy)propanoyl]benzohydrazide
CID 47080643
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-N-[(1S)-2,2,2-trifluoro-1-phenylethyl]propanamide
CID 100842096
(2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 97003852
(2S)-N-(1,2-dihydroacenaphthylen-5-yl)-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 52533675
(2S)-N-[2-[(2-chlorophenyl)methoxy]ethyl]-2-[[(2R)-oxolan-2-yl]methoxy]propanamide
CID 94813622
(2R)-N-naphthalen-2-ylsulfonyl-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95269930
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48845435
(2R)-N-(benzenesulfonyl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95272601
N-methyl-2-nitro-6-(oxolan-2-ylmethoxymethyl)aniline
CID 107352196

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-(2-nitrophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]propanehydrazide?
The IUPAC name of (2R)-N'-(2-nitrophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]propanehydrazide (CID 95281197) is (2R)-N'-(2-nitrophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]propanehydrazide.
What is the SMILES notation for (2R)-N'-(2-nitrophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]propanehydrazide?
The canonical SMILES for (2R)-N'-(2-nitrophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]propanehydrazide is C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1ccccc1[N+](=O)[O-].
What is the InChIKey of (2R)-N'-(2-nitrophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]propanehydrazide?
The InChIKey is IZWUEYOHKCOUPF-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-10(22-9-11-5-4-8-21-11)14(18)16-15-12-6-2-3-7-13(12)17(19)20/h2-3,6-7,10-11,15H,4-5,8-9H2,1H3,(H,16,18)/t10-,11-/m1/s1.
What are the key properties of (2R)-N'-(2-nitrophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]propanehydrazide?
(2R)-N'-(2-nitrophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]propanehydrazide has a molecular weight of 309.32 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-(2-nitrophenyl)-2-[[(2R)-oxolan-2-yl]methoxy]propanehydrazide is sourced from PubChem (CID 95281197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).