2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N,N-diphenylacetamide

C23H22N4O4 — CID 168533266

IUPAC2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N,N-diphenylacetamide
SMILESCOc1cc(C=NNC(N)=O)ccc1OCC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N4O4/c1-30-21-14-17(15-25-26-23(24)29)12-13-20(21)31-16-22(28)27(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H3,24,26,29)
InChIKeyJYBAKAGSLFPLGQ-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.44
Rot. Bonds8

About 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N,N-diphenylacetamide

2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N,N-diphenylacetamide (PubChem CID 168533266) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N,N-diphenylacetamide.

Molecular Properties

Compound Name2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N,N-diphenylacetamide
PubChem CID168533266
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N,N-diphenylacetamide
SMILESCOc1cc(C=NNC(N)=O)ccc1OCC(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H22N4O4/c1-30-21-14-17(15-25-26-23(24)29)12-13-20(21)31-16-22(28)27(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H3,24,26,29)
InChIKeyJYBAKAGSLFPLGQ-UHFFFAOYSA-N
XLogP3.44
TPSA106.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]acetamide
CID 19655720
2-[4-[(Z)-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)hydrazinylidene]methyl]-2-methoxyphenoxy]-N,N-diphenylacetamide
CID 51529540
2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetic acid
CID 803110
2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide
CID 57363037
propan-2-yl 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]acetate
CID 168533376
[(E)-(4-hexadecoxy-3-methoxyphenyl)methylideneamino]urea
CID 10812700
[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110536766
[(4-hexoxy-3-methoxyphenyl)methylideneamino]urea
CID 84903812
4-[[2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]acetyl]amino]benzoic acid
CID 19617899
ethyl 2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetate
CID 4279032
[[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 168533097

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N,N-diphenylacetamide?
The IUPAC name of 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N,N-diphenylacetamide (CID 168533266) is 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N,N-diphenylacetamide.
What is the SMILES notation for 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N,N-diphenylacetamide?
The canonical SMILES for 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N,N-diphenylacetamide is COc1cc(C=NNC(N)=O)ccc1OCC(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N,N-diphenylacetamide?
The InChIKey is JYBAKAGSLFPLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-30-21-14-17(15-25-26-23(24)29)12-13-20(21)31-16-22(28)27(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H3,24,26,29).
What are the key properties of 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N,N-diphenylacetamide?
2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N,N-diphenylacetamide has a molecular weight of 418.45 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N,N-diphenylacetamide is sourced from PubChem (CID 168533266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).