ethyl 3-[2-[(3-methoxyphenyl)carbamoyl]hydrazinyl]-3-oxopropanoate

C13H17N3O5 — CID 90370606

IUPACethyl 3-[2-[(3-methoxyphenyl)carbamoyl]hydrazinyl]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)NNC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C13H17N3O5/c1-3-21-12(18)8-11(17)15-16-13(19)14-9-5-4-6-10(7-9)20-2/h4-7H,3,8H2,1-2H3,(H,15,17)(H2,14,16,19)
InChIKeyIDYAUKDTOSXMCJ-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.80
Rot. Bonds5

About ethyl 3-[2-[(3-methoxyphenyl)carbamoyl]hydrazinyl]-3-oxopropanoate

ethyl 3-[2-[(3-methoxyphenyl)carbamoyl]hydrazinyl]-3-oxopropanoate (PubChem CID 90370606) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is ethyl 3-[2-[(3-methoxyphenyl)carbamoyl]hydrazinyl]-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 3-[2-[(3-methoxyphenyl)carbamoyl]hydrazinyl]-3-oxopropanoate
PubChem CID90370606
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Nameethyl 3-[2-[(3-methoxyphenyl)carbamoyl]hydrazinyl]-3-oxopropanoate
SMILESCCOC(=O)CC(=O)NNC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C13H17N3O5/c1-3-21-12(18)8-11(17)15-16-13(19)14-9-5-4-6-10(7-9)20-2/h4-7H,3,8H2,1-2H3,(H,15,17)(H2,14,16,19)
InChIKeyIDYAUKDTOSXMCJ-UHFFFAOYSA-N
XLogP0.80
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[(3-methoxyphenyl)carbamoyl]carbamate
CID 13221153
ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
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ethyl 2-[(3-methoxyphenyl)carbamothioylamino]acetate
CID 2211509
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
ethyl N-[(3-methoxyphenyl)carbamothioylamino]carbamate
CID 2823947
1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 108895444
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
3-amino-N-(3-methoxyphenyl)-3-methylbutanamide
CID 64683747
3-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
CID 43146330
ethyl 3-[3-(2-methylpropoxy)anilino]-3-oxopropanoate
CID 17097553
2-amino-2-ethyl-N-(3-methoxyphenyl)butanamide
CID 79809500

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[(3-methoxyphenyl)carbamoyl]hydrazinyl]-3-oxopropanoate?
The IUPAC name of ethyl 3-[2-[(3-methoxyphenyl)carbamoyl]hydrazinyl]-3-oxopropanoate (CID 90370606) is ethyl 3-[2-[(3-methoxyphenyl)carbamoyl]hydrazinyl]-3-oxopropanoate.
What is the SMILES notation for ethyl 3-[2-[(3-methoxyphenyl)carbamoyl]hydrazinyl]-3-oxopropanoate?
The canonical SMILES for ethyl 3-[2-[(3-methoxyphenyl)carbamoyl]hydrazinyl]-3-oxopropanoate is CCOC(=O)CC(=O)NNC(=O)Nc1cccc(OC)c1.
What is the InChIKey of ethyl 3-[2-[(3-methoxyphenyl)carbamoyl]hydrazinyl]-3-oxopropanoate?
The InChIKey is IDYAUKDTOSXMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-3-21-12(18)8-11(17)15-16-13(19)14-9-5-4-6-10(7-9)20-2/h4-7H,3,8H2,1-2H3,(H,15,17)(H2,14,16,19).
What are the key properties of ethyl 3-[2-[(3-methoxyphenyl)carbamoyl]hydrazinyl]-3-oxopropanoate?
ethyl 3-[2-[(3-methoxyphenyl)carbamoyl]hydrazinyl]-3-oxopropanoate has a molecular weight of 295.30 g/mol, XLogP of 0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[(3-methoxyphenyl)carbamoyl]hydrazinyl]-3-oxopropanoate is sourced from PubChem (CID 90370606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).