2-amino-3-ethenoxy-N-[2-(2-ethenoxyethylcarbamoylamino)phenyl]propanamide

C16H22N4O4 — CID 20828096

IUPAC2-amino-3-ethenoxy-N-[2-(2-ethenoxyethylcarbamoylamino)phenyl]propanamide
SMILESC=COCCNC(=O)Nc1ccccc1NC(=O)C(N)COC=C
InChIInChI=1S/C16H22N4O4/c1-3-23-10-9-18-16(22)20-14-8-6-5-7-13(14)19-15(21)12(17)11-24-4-2/h3-8,12H,1-2,9-11,17H2,(H,19,21)(H2,18,20,22)
InChIKeyMCLNJJSFMAPCRI-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.39
Rot. Bonds10

About 2-amino-3-ethenoxy-N-[2-(2-ethenoxyethylcarbamoylamino)phenyl]propanamide

2-amino-3-ethenoxy-N-[2-(2-ethenoxyethylcarbamoylamino)phenyl]propanamide (PubChem CID 20828096) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-amino-3-ethenoxy-N-[2-(2-ethenoxyethylcarbamoylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-3-ethenoxy-N-[2-(2-ethenoxyethylcarbamoylamino)phenyl]propanamide
PubChem CID20828096
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name2-amino-3-ethenoxy-N-[2-(2-ethenoxyethylcarbamoylamino)phenyl]propanamide
SMILESC=COCCNC(=O)Nc1ccccc1NC(=O)C(N)COC=C
InChIInChI=1S/C16H22N4O4/c1-3-23-10-9-18-16(22)20-14-8-6-5-7-13(14)19-15(21)12(17)11-24-4-2/h3-8,12H,1-2,9-11,17H2,(H,19,21)(H2,18,20,22)
InChIKeyMCLNJJSFMAPCRI-UHFFFAOYSA-N
XLogP1.39
TPSA114.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethenoxyethyl)-3-[2-(2-ethenoxyethylcarbamoylamino)phenyl]urea
CID 21365399
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CID 20828098
2-[2-[(2-amino-3-methoxypropanoyl)amino]phenyl]acetic acid
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1-(2-ethenoxyethyl)-3-(4-fluorophenyl)urea
CID 2282649
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N-[2-[(3-ethenoxypropylamino)methyl]phenyl]acetamide
CID 66385443
2-amino-4-methoxy-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 62473395
2-amino-3-methoxy-N-(5-methoxy-2-methylphenyl)propanamide
CID 114252735
2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide
CID 81089075
2-amino-N-(2-cyano-3-fluorophenyl)-3-methoxypropanamide
CID 81081464
2-amino-N-[2-(methanesulfonamido)phenyl]-5-methoxypentanamide
CID 81086132

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-ethenoxy-N-[2-(2-ethenoxyethylcarbamoylamino)phenyl]propanamide?
The IUPAC name of 2-amino-3-ethenoxy-N-[2-(2-ethenoxyethylcarbamoylamino)phenyl]propanamide (CID 20828096) is 2-amino-3-ethenoxy-N-[2-(2-ethenoxyethylcarbamoylamino)phenyl]propanamide.
What is the SMILES notation for 2-amino-3-ethenoxy-N-[2-(2-ethenoxyethylcarbamoylamino)phenyl]propanamide?
The canonical SMILES for 2-amino-3-ethenoxy-N-[2-(2-ethenoxyethylcarbamoylamino)phenyl]propanamide is C=COCCNC(=O)Nc1ccccc1NC(=O)C(N)COC=C.
What is the InChIKey of 2-amino-3-ethenoxy-N-[2-(2-ethenoxyethylcarbamoylamino)phenyl]propanamide?
The InChIKey is MCLNJJSFMAPCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-3-23-10-9-18-16(22)20-14-8-6-5-7-13(14)19-15(21)12(17)11-24-4-2/h3-8,12H,1-2,9-11,17H2,(H,19,21)(H2,18,20,22).
What are the key properties of 2-amino-3-ethenoxy-N-[2-(2-ethenoxyethylcarbamoylamino)phenyl]propanamide?
2-amino-3-ethenoxy-N-[2-(2-ethenoxyethylcarbamoylamino)phenyl]propanamide has a molecular weight of 334.38 g/mol, XLogP of 1.39, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-ethenoxy-N-[2-(2-ethenoxyethylcarbamoylamino)phenyl]propanamide is sourced from PubChem (CID 20828096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).