(2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide

C16H15N3O5 — CID 136766986

IUPAC(2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
SMILESC[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C16H15N3O5/c1-11(24-15-8-4-13(5-9-15)19(22)23)16(21)18-17-10-12-2-6-14(20)7-3-12/h2-11,20H,1H3,(H,18,21)/b17-10-/t11-/m1/s1
InChIKeyBDPSTLLBQTWDHP-VBYYMIJXSA-N
MW329.31 g/mol
LogP2.22
Rot. Bonds6

About (2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide

(2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide (PubChem CID 136766986) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is (2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
PubChem CID136766986
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name(2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
SMILESC[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C\c1ccc(O)cc1
InChIInChI=1S/C16H15N3O5/c1-11(24-15-8-4-13(5-9-15)19(22)23)16(21)18-17-10-12-2-6-14(20)7-3-12/h2-11,20H,1H3,(H,18,21)/b17-10-/t11-/m1/s1
InChIKeyBDPSTLLBQTWDHP-VBYYMIJXSA-N
XLogP2.22
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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

N-[(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
CID 5147897
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
CID 135659369
(2R)-2-(4-bromophenoxy)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 136766953
2-(4-bromophenoxy)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135659445
(2R)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenoxypropanamide
CID 135603975
2-(3-bromophenoxy)-N-[(4-nitrophenyl)methylideneamino]propanamide
CID 4303081
[4-[[2-(4-nitrophenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-bromobenzoate
CID 4672562
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
CID 4595185
(2R)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(3-nitrophenoxy)propanamide
CID 92644710
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
CID 4050443
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 2788482
N-(4-methoxyphenyl)-2-methyl-N'-[(4-nitrophenyl)methylideneamino]propanediamide
CID 3650874

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide?
The IUPAC name of (2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide (CID 136766986) is (2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide?
The canonical SMILES for (2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide is C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C\c1ccc(O)cc1.
What is the InChIKey of (2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide?
The InChIKey is BDPSTLLBQTWDHP-VBYYMIJXSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-11(24-15-8-4-13(5-9-15)19(22)23)16(21)18-17-10-12-2-6-14(20)7-3-12/h2-11,20H,1H3,(H,18,21)/b17-10-/t11-/m1/s1.
What are the key properties of (2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide?
(2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide has a molecular weight of 329.31 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide is sourced from PubChem (CID 136766986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).