N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide

C20H23N3O4 — CID 5499286

IUPACN-[(Z)-(4-nitrophenyl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide
SMILESCCC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C20H23N3O4/c1-3-4-15(2)17-7-11-19(12-8-17)27-14-20(24)22-21-13-16-5-9-18(10-6-16)23(25)26/h5-13,15H,3-4,14H2,1-2H3,(H,22,24)/b21-13-/t15-/m1/s1
InChIKeySPRIXULGMKWCOL-PJMHOZITSA-N
MW369.42 g/mol
LogP4.03
Rot. Bonds9

About N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide

N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide (PubChem CID 5499286) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-nitrophenyl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide
PubChem CID5499286
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[(Z)-(4-nitrophenyl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide
SMILESCCC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C20H23N3O4/c1-3-4-15(2)17-7-11-19(12-8-17)27-14-20(24)22-21-13-16-5-9-18(10-6-16)23(25)26/h5-13,15H,3-4,14H2,1-2H3,(H,22,24)/b21-13-/t15-/m1/s1
InChIKeySPRIXULGMKWCOL-PJMHOZITSA-N
XLogP4.03
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578
N-[[4-(dimethylamino)phenyl]methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 909373
N-[(Z)-(5-methylfuran-2-yl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide
CID 40536060
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 6002004
2-[4-[(2S)-butan-2-yl]phenoxy]-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
CID 7355336
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 7039350
2-[4-[(2S)-butan-2-yl]phenoxy]-N-[(Z)-[4-(2,4-dinitrophenoxy)-3-ethoxyphenyl]methylideneamino]acetamide
CID 98241255
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 5414565
2-naphthalen-2-yloxy-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 774635
N-[(E)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 6896409
2-(4-nitrophenoxy)-N-(propylideneamino)acetamide
CID 4617733
2-(4-nitrophenoxy)-N-pentan-2-ylacetamide
CID 4810369

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide?
The IUPAC name of N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide (CID 5499286) is N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide.
What is the SMILES notation for N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide?
The canonical SMILES for N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide is CCC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide?
The InChIKey is SPRIXULGMKWCOL-PJMHOZITSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-3-4-15(2)17-7-11-19(12-8-17)27-14-20(24)22-21-13-16-5-9-18(10-6-16)23(25)26/h5-13,15H,3-4,14H2,1-2H3,(H,22,24)/b21-13-/t15-/m1/s1.
What are the key properties of N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide?
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide has a molecular weight of 369.42 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-nitrophenyl)methylideneamino]-2-[4-[(2R)-pentan-2-yl]phenoxy]acetamide is sourced from PubChem (CID 5499286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).