2-[2-[(4-iodophenyl)carbamoylamino]ethoxy]acetic acid

C11H13IN2O4 — CID 79463530

IUPAC2-[2-[(4-iodophenyl)carbamoylamino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C11H13IN2O4/c12-8-1-3-9(4-2-8)14-11(17)13-5-6-18-7-10(15)16/h1-4H,5-7H2,(H,15,16)(H2,13,14,17)
InChIKeyHNXSQDYEDNQHFL-UHFFFAOYSA-N
MW364.14 g/mol
LogP1.51
Rot. Bonds6

About 2-[2-[(4-iodophenyl)carbamoylamino]ethoxy]acetic acid

2-[2-[(4-iodophenyl)carbamoylamino]ethoxy]acetic acid (PubChem CID 79463530) has the molecular formula C11H13IN2O4 and a molecular weight of 364.14 g/mol. Its IUPAC name is 2-[2-[(4-iodophenyl)carbamoylamino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-iodophenyl)carbamoylamino]ethoxy]acetic acid
PubChem CID79463530
Molecular FormulaC11H13IN2O4
Molecular Weight364.14 g/mol
Exact Mass363.99
IUPAC Name2-[2-[(4-iodophenyl)carbamoylamino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)Nc1ccc(I)cc1
InChIInChI=1S/C11H13IN2O4/c12-8-1-3-9(4-2-8)14-11(17)13-5-6-18-7-10(15)16/h1-4H,5-7H2,(H,15,16)(H2,13,14,17)
InChIKeyHNXSQDYEDNQHFL-UHFFFAOYSA-N
XLogP1.51
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.14
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(4-carbamoylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463712
2-[2-[(3-bromo-4-iodophenyl)carbamoylamino]ethoxy]acetic acid
CID 114262271
2-[2-[(4-propan-2-yloxyphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463310
4-[(4-iodophenyl)carbamoylamino]butanoic acid
CID 61185530
2-[2-[(3-bromo-4-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463852
2-[(4-iodophenyl)carbamoylamino]acetic acid
CID 43445581
2-[2-[(2,6-dichlorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79464423
2-[2-[(2,6-dibromophenyl)carbamoylamino]ethoxy]acetic acid
CID 107601678
1-(4-iodophenyl)-3-(3-oxobutyl)urea
CID 108895214
2-[2-(pyrimidin-2-ylcarbamoylamino)ethoxy]acetic acid
CID 79464278
2-[7-[2-[[3,4-bis(trifluoromethyl)phenyl]carbamoylamino]ethoxy]heptoxy]acetic acid
CID 158833487
2-[2-[[4-(aminomethyl)phenyl]carbamoylamino]ethoxy]acetamide
CID 106238550

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-iodophenyl)carbamoylamino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-iodophenyl)carbamoylamino]ethoxy]acetic acid (CID 79463530) is 2-[2-[(4-iodophenyl)carbamoylamino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-iodophenyl)carbamoylamino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-iodophenyl)carbamoylamino]ethoxy]acetic acid is O=C(O)COCCNC(=O)Nc1ccc(I)cc1.
What is the InChIKey of 2-[2-[(4-iodophenyl)carbamoylamino]ethoxy]acetic acid?
The InChIKey is HNXSQDYEDNQHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O4/c12-8-1-3-9(4-2-8)14-11(17)13-5-6-18-7-10(15)16/h1-4H,5-7H2,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[2-[(4-iodophenyl)carbamoylamino]ethoxy]acetic acid?
2-[2-[(4-iodophenyl)carbamoylamino]ethoxy]acetic acid has a molecular weight of 364.14 g/mol, XLogP of 1.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-iodophenyl)carbamoylamino]ethoxy]acetic acid is sourced from PubChem (CID 79463530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).