N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide

C23H21N3O5 — CID 124541148

IUPACN-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
SMILESCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H21N3O5/c1-30-22-13-19(15-24-25-23(27)14-17-5-3-2-4-6-17)9-12-21(22)31-16-18-7-10-20(11-8-18)26(28)29/h2-13,15H,14,16H2,1H3,(H,25,27)/b24-15-
InChIKeyCLBGYQMMDNGAFT-IWIPYMOSSA-N
MW419.44 g/mol
LogP3.88
Rot. Bonds9

About N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide

N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide (PubChem CID 124541148) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
PubChem CID124541148
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC NameN-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
SMILESCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H21N3O5/c1-30-22-13-19(15-24-25-23(27)14-17-5-3-2-4-6-17)9-12-21(22)31-16-18-7-10-20(11-8-18)26(28)29/h2-13,15H,14,16H2,1H3,(H,25,27)/b24-15-
InChIKeyCLBGYQMMDNGAFT-IWIPYMOSSA-N
XLogP3.88
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
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

N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 3512244
2-(2,4-dimethylphenyl)-N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 133145340
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylacetamide
CID 3561561
[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]urea
CID 74852654
2-methoxy-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-5-nitrobenzamide
CID 126264618
N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
CID 4595185
3-methoxy-N-[(E)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-4-phenylmethoxybenzamide
CID 126327410
2-bromo-N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 29146920
[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 3303163
N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 5339776
methyl N-[(Z)-[4-methoxy-3-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]carbamate
CID 9143032
N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 6167073

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide (CID 124541148) is N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide is COc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide?
The InChIKey is CLBGYQMMDNGAFT-IWIPYMOSSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-30-22-13-19(15-24-25-23(27)14-17-5-3-2-4-6-17)9-12-21(22)31-16-18-7-10-20(11-8-18)26(28)29/h2-13,15H,14,16H2,1H3,(H,25,27)/b24-15-.
What are the key properties of N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide?
N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide has a molecular weight of 419.44 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 124541148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).