N-[(2S)-3-hydroxy-1-(4-nitrophenyl)-1-(phenylhydrazinylidene)propan-2-yl]acetamide

C17H18N4O4 — CID 129440840

IUPACN-[(2S)-3-hydroxy-1-(4-nitrophenyl)-1-(phenylhydrazinylidene)propan-2-yl]acetamide
SMILESCC(=O)N[C@H](CO)C(=NNc1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H18N4O4/c1-12(23)18-16(11-22)17(20-19-14-5-3-2-4-6-14)13-7-9-15(10-8-13)21(24)25/h2-10,16,19,22H,11H2,1H3,(H,18,23)/t16-/m1/s1
InChIKeyWANFBWXUIXOLTC-MRXNPFEDSA-N
MW342.36 g/mol
LogP1.91
Rot. Bonds7

About N-[(2S)-3-hydroxy-1-(4-nitrophenyl)-1-(phenylhydrazinylidene)propan-2-yl]acetamide

N-[(2S)-3-hydroxy-1-(4-nitrophenyl)-1-(phenylhydrazinylidene)propan-2-yl]acetamide (PubChem CID 129440840) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-1-(4-nitrophenyl)-1-(phenylhydrazinylidene)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-1-(4-nitrophenyl)-1-(phenylhydrazinylidene)propan-2-yl]acetamide
PubChem CID129440840
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC NameN-[(2S)-3-hydroxy-1-(4-nitrophenyl)-1-(phenylhydrazinylidene)propan-2-yl]acetamide
SMILESCC(=O)N[C@H](CO)C(=NNc1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H18N4O4/c1-12(23)18-16(11-22)17(20-19-14-5-3-2-4-6-14)13-7-9-15(10-8-13)21(24)25/h2-10,16,19,22H,11H2,1H3,(H,18,23)/t16-/m1/s1
InChIKeyWANFBWXUIXOLTC-MRXNPFEDSA-N
XLogP1.91
TPSA116.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(2Z)-1-(4-nitrophenyl)-2-(phenylhydrazinylidene)propylidene]hydroxylamine
CID 137126520
(2R)-2-acetamido-3-hydroxy-N-[(4-nitrophenyl)methyl]propanamide
CID 11822044
4-nitro-N-[(Z)-1-phenylethylideneamino]aniline
CID 6104616
3-[(4-nitrophenyl)hydrazinylidene]-1,3-diphenylpropan-1-one
CID 4509710
4-nitro-N-(1-phenylpropan-2-ylideneamino)aniline
CID 4640620
4-nitro-N-[(E)-1-phenylpropan-2-ylideneamino]aniline
CID 6172968
acetic acid;(4-nitrophenyl)-phenylmethanone
CID 162340702
(E)-N-(4-nitrophenyl)benzenecarbohydrazonoyl chloride
CID 5360802
[2-[(2Z)-2-[(4-nitrophenyl)hydrazinylidene]propyl]phenyl] benzoate
CID 6269804
4-nitro-N-[(Z)-[nitro(phenyl)methylidene]amino]aniline
CID 12706501
(1E)-N-(4-nitrophenyl)-2-oxo-2-phenylethanehydrazonoyl bromide
CID 11348604
N-[(E)-1,1-diphenylpropan-2-ylideneamino]-4-nitrobenzamide
CID 54785337

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-hydroxy-1-(4-nitrophenyl)-1-(phenylhydrazinylidene)propan-2-yl]acetamide?
The IUPAC name of N-[(2S)-3-hydroxy-1-(4-nitrophenyl)-1-(phenylhydrazinylidene)propan-2-yl]acetamide (CID 129440840) is N-[(2S)-3-hydroxy-1-(4-nitrophenyl)-1-(phenylhydrazinylidene)propan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-1-(4-nitrophenyl)-1-(phenylhydrazinylidene)propan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-3-hydroxy-1-(4-nitrophenyl)-1-(phenylhydrazinylidene)propan-2-yl]acetamide is CC(=O)N[C@H](CO)C(=NNc1ccccc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(2S)-3-hydroxy-1-(4-nitrophenyl)-1-(phenylhydrazinylidene)propan-2-yl]acetamide?
The InChIKey is WANFBWXUIXOLTC-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-12(23)18-16(11-22)17(20-19-14-5-3-2-4-6-14)13-7-9-15(10-8-13)21(24)25/h2-10,16,19,22H,11H2,1H3,(H,18,23)/t16-/m1/s1.
What are the key properties of N-[(2S)-3-hydroxy-1-(4-nitrophenyl)-1-(phenylhydrazinylidene)propan-2-yl]acetamide?
N-[(2S)-3-hydroxy-1-(4-nitrophenyl)-1-(phenylhydrazinylidene)propan-2-yl]acetamide has a molecular weight of 342.36 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-hydroxy-1-(4-nitrophenyl)-1-(phenylhydrazinylidene)propan-2-yl]acetamide is sourced from PubChem (CID 129440840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).