N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide

C23H22N2O3 — CID 6117131

IUPACN-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C23H22N2O3/c1-18(26)25-24-15-21-12-13-22(27-16-19-8-4-2-5-9-19)23(14-21)28-17-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,25,26)/b24-15-
InChIKeyYPJIRHWSFHRARR-IWIPYMOSSA-N
MW374.44 g/mol
LogP4.31
Rot. Bonds8

About N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide

N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide (PubChem CID 6117131) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide
PubChem CID6117131
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide
SMILESCC(=O)N/N=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C23H22N2O3/c1-18(26)25-24-15-21-12-13-22(27-16-19-8-4-2-5-9-19)23(14-21)28-17-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,25,26)/b24-15-
InChIKeyYPJIRHWSFHRARR-IWIPYMOSSA-N
XLogP4.31
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea
CID 1267665
N'-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 9351747
N'-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6910290
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]furan-2-carboxamide
CID 2336578
N-[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 3663554
N-[(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 4008374
ethyl N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]carbamate
CID 6902975
ethyl N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]carbamate
CID 6902439
N-[(Z)-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylideneamino]acetamide
CID 9073708
[5-[(carbamoylhydrazinylidene)methyl]-2-phenylmethoxyphenyl]boronic acid
CID 168534084
3,4,5-trimethoxy-N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 42991313
2-hydroxy-N-[(Z)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6291203

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide?
The IUPAC name of N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide (CID 6117131) is N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide.
What is the SMILES notation for N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide?
The canonical SMILES for N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide is CC(=O)N/N=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide?
The InChIKey is YPJIRHWSFHRARR-IWIPYMOSSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-18(26)25-24-15-21-12-13-22(27-16-19-8-4-2-5-9-19)23(14-21)28-17-20-10-6-3-7-11-20/h2-15H,16-17H2,1H3,(H,25,26)/b24-15-.
What are the key properties of N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide?
N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide has a molecular weight of 374.44 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3,4-bis(phenylmethoxy)phenyl]methylideneamino]acetamide is sourced from PubChem (CID 6117131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).