1-(2-ethenoxyethyl)-3-[2-(2-ethenoxyethylcarbamoylamino)phenyl]urea

C16H22N4O4 — CID 21365399

IUPAC1-(2-ethenoxyethyl)-3-[2-(2-ethenoxyethylcarbamoylamino)phenyl]urea
SMILESC=COCCNC(=O)Nc1ccccc1NC(=O)NCCOC=C
InChIInChI=1S/C16H22N4O4/c1-3-23-11-9-17-15(21)19-13-7-5-6-8-14(13)20-16(22)18-10-12-24-4-2/h3-8H,1-2,9-12H2,(H2,17,19,21)(H2,18,20,22)
InChIKeyUATNDVXLGQBEOX-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.25
Rot. Bonds10

About 1-(2-ethenoxyethyl)-3-[2-(2-ethenoxyethylcarbamoylamino)phenyl]urea

1-(2-ethenoxyethyl)-3-[2-(2-ethenoxyethylcarbamoylamino)phenyl]urea (PubChem CID 21365399) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-(2-ethenoxyethyl)-3-[2-(2-ethenoxyethylcarbamoylamino)phenyl]urea.

Molecular Properties

Compound Name1-(2-ethenoxyethyl)-3-[2-(2-ethenoxyethylcarbamoylamino)phenyl]urea
PubChem CID21365399
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name1-(2-ethenoxyethyl)-3-[2-(2-ethenoxyethylcarbamoylamino)phenyl]urea
SMILESC=COCCNC(=O)Nc1ccccc1NC(=O)NCCOC=C
InChIInChI=1S/C16H22N4O4/c1-3-23-11-9-17-15(21)19-13-7-5-6-8-14(13)20-16(22)18-10-12-24-4-2/h3-8H,1-2,9-12H2,(H2,17,19,21)(H2,18,20,22)
InChIKeyUATNDVXLGQBEOX-UHFFFAOYSA-N
XLogP2.25
TPSA100.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

2-amino-3-ethenoxy-N-[2-(2-ethenoxyethylcarbamoylamino)phenyl]propanamide
CID 20828096
1-(2-ethenoxyethyl)-3-(4-fluorophenyl)urea
CID 2282649
2-amino-3-ethenoxy-N-[4-(2-ethenoxyethylcarbamoylamino)phenyl]propanamide
CID 20828098
1-(2-ethoxyphenyl)-3-(2-methoxyethyl)urea
CID 47032357
N-[2-[(3-ethenoxypropylamino)methyl]phenyl]acetamide
CID 66385443
1-(2-methoxyethyl)-3-[2-(2-methylphenoxy)phenyl]urea
CID 110426455
1-(2-fluorophenyl)-3-[2-(2-methylprop-2-enoxy)ethyl]urea
CID 113258094
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
3-(2-but-3-enoxyethylcarbamoylamino)-2-hydroxybenzoic acid
CID 106405133
1-[2-[ethyl(methyl)amino]phenyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea
CID 71917488
3-[[2-(2-methoxyethyl)phenyl]carbamoylamino]propanoic acid
CID 102907015
1-(2-methoxyethyl)-3-(2-methoxy-3-pyridinyl)urea
CID 47223034

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenoxyethyl)-3-[2-(2-ethenoxyethylcarbamoylamino)phenyl]urea?
The IUPAC name of 1-(2-ethenoxyethyl)-3-[2-(2-ethenoxyethylcarbamoylamino)phenyl]urea (CID 21365399) is 1-(2-ethenoxyethyl)-3-[2-(2-ethenoxyethylcarbamoylamino)phenyl]urea.
What is the SMILES notation for 1-(2-ethenoxyethyl)-3-[2-(2-ethenoxyethylcarbamoylamino)phenyl]urea?
The canonical SMILES for 1-(2-ethenoxyethyl)-3-[2-(2-ethenoxyethylcarbamoylamino)phenyl]urea is C=COCCNC(=O)Nc1ccccc1NC(=O)NCCOC=C.
What is the InChIKey of 1-(2-ethenoxyethyl)-3-[2-(2-ethenoxyethylcarbamoylamino)phenyl]urea?
The InChIKey is UATNDVXLGQBEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-3-23-11-9-17-15(21)19-13-7-5-6-8-14(13)20-16(22)18-10-12-24-4-2/h3-8H,1-2,9-12H2,(H2,17,19,21)(H2,18,20,22).
What are the key properties of 1-(2-ethenoxyethyl)-3-[2-(2-ethenoxyethylcarbamoylamino)phenyl]urea?
1-(2-ethenoxyethyl)-3-[2-(2-ethenoxyethylcarbamoylamino)phenyl]urea has a molecular weight of 334.38 g/mol, XLogP of 2.25, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxyethyl)-3-[2-(2-ethenoxyethylcarbamoylamino)phenyl]urea is sourced from PubChem (CID 21365399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).