propan-2-yl 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]acetate

C14H19N3O5 — CID 168533376

IUPACpropan-2-yl 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]acetate
SMILESCOc1cc(C=NNC(N)=O)ccc1OCC(=O)OC(C)C
InChIInChI=1S/C14H19N3O5/c1-9(2)22-13(18)8-21-11-5-4-10(6-12(11)20-3)7-16-17-14(15)19/h4-7,9H,8H2,1-3H3,(H3,15,17,19)
InChIKeyWLMUAUCRYYXKOM-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.03
Rot. Bonds7

About propan-2-yl 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]acetate

propan-2-yl 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]acetate (PubChem CID 168533376) has the molecular formula C14H19N3O5 and a molecular weight of 309.32 g/mol. Its IUPAC name is propan-2-yl 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]acetate
PubChem CID168533376
Molecular FormulaC14H19N3O5
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Namepropan-2-yl 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]acetate
SMILESCOc1cc(C=NNC(N)=O)ccc1OCC(=O)OC(C)C
InChIInChI=1S/C14H19N3O5/c1-9(2)22-13(18)8-21-11-5-4-10(6-12(11)20-3)7-16-17-14(15)19/h4-7,9H,8H2,1-3H3,(H3,15,17,19)
InChIKeyWLMUAUCRYYXKOM-UHFFFAOYSA-N
XLogP1.03
TPSA112.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
[[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]urea
CID 2588719
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-[(E)-(3,4-diethoxyphenyl)methylideneamino]acetamide
CID 19655720
ethyl 2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetate
CID 4279032
2-[4-[(Z)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-(4-ethoxyphenyl)acetamide
CID 9017322
2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetamide
CID 57363037
2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N,N-diphenylacetamide
CID 168533266
[(Z)-(3-methoxy-4-nonoxyphenyl)methylideneamino]urea
CID 110536766
[(4-hexoxy-3-methoxyphenyl)methylideneamino]urea
CID 84903812
[(E)-(4-hexadecoxy-3-methoxyphenyl)methylideneamino]urea
CID 10812700
2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide
CID 168533377
4-[[2-[4-[(E)-(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]acetyl]amino]benzoic acid
CID 19617899

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]acetate?
The IUPAC name of propan-2-yl 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]acetate (CID 168533376) is propan-2-yl 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]acetate.
What is the SMILES notation for propan-2-yl 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]acetate?
The canonical SMILES for propan-2-yl 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]acetate is COc1cc(C=NNC(N)=O)ccc1OCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]acetate?
The InChIKey is WLMUAUCRYYXKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5/c1-9(2)22-13(18)8-21-11-5-4-10(6-12(11)20-3)7-16-17-14(15)19/h4-7,9H,8H2,1-3H3,(H3,15,17,19).
What are the key properties of propan-2-yl 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]acetate?
propan-2-yl 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]acetate has a molecular weight of 309.32 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]acetate is sourced from PubChem (CID 168533376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).