2-[2-(3-phenylpropylcarbamoylamino)ethoxy]acetic acid

C14H20N2O4 — CID 79463144

IUPAC2-[2-(3-phenylpropylcarbamoylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)NCCCc1ccccc1
InChIInChI=1S/C14H20N2O4/c17-13(18)11-20-10-9-16-14(19)15-8-4-7-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,17,18)(H2,15,16,19)
InChIKeyDFUDWPBTHGKGEY-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.02
Rot. Bonds9

About 2-[2-(3-phenylpropylcarbamoylamino)ethoxy]acetic acid

2-[2-(3-phenylpropylcarbamoylamino)ethoxy]acetic acid (PubChem CID 79463144) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[2-(3-phenylpropylcarbamoylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(3-phenylpropylcarbamoylamino)ethoxy]acetic acid
PubChem CID79463144
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[2-(3-phenylpropylcarbamoylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)NCCCc1ccccc1
InChIInChI=1S/C14H20N2O4/c17-13(18)11-20-10-9-16-14(19)15-8-4-7-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,17,18)(H2,15,16,19)
InChIKeyDFUDWPBTHGKGEY-UHFFFAOYSA-N
XLogP1.02
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-phenylbutan-2-ylcarbamoylamino)ethoxy]acetic acid
CID 79463522
2-(4-phenylbutoxy)acetic acid
CID 24769508
1-[2-[bis[2-(3-phenylpropylcarbamoylamino)ethyl]amino]ethyl]-3-(3-phenylpropyl)urea
CID 101049094
2-[2-(2-pyridin-4-ylethylcarbamoylamino)ethoxy]acetic acid
CID 79464389
1-ethyl-3-(3-phenylpropyl)urea
CID 11769661
2-[2-(1-phenylpropan-2-ylcarbamoylamino)ethoxy]acetic acid
CID 79464414
3-(5-phenylpentylcarbamoylamino)propanoic acid
CID 122000469
4-(5-phenylpentylcarbamoylamino)butanoic acid
CID 122000470
1-[3-(2,6-dimethylphenoxy)propyl]-3-(3-phenylpropyl)urea
CID 108881887
2-[2-[2-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463732
2-[2-(pentylcarbamoylamino)ethoxy]acetic acid
CID 79463025
1-(3-phenylpropyl)-3-[2-(2,4,5-trimethylphenoxy)ethyl]urea
CID 112974458

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-phenylpropylcarbamoylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(3-phenylpropylcarbamoylamino)ethoxy]acetic acid (CID 79463144) is 2-[2-(3-phenylpropylcarbamoylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(3-phenylpropylcarbamoylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(3-phenylpropylcarbamoylamino)ethoxy]acetic acid is O=C(O)COCCNC(=O)NCCCc1ccccc1.
What is the InChIKey of 2-[2-(3-phenylpropylcarbamoylamino)ethoxy]acetic acid?
The InChIKey is DFUDWPBTHGKGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-13(18)11-20-10-9-16-14(19)15-8-4-7-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11H2,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[2-(3-phenylpropylcarbamoylamino)ethoxy]acetic acid?
2-[2-(3-phenylpropylcarbamoylamino)ethoxy]acetic acid has a molecular weight of 280.32 g/mol, XLogP of 1.02, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-phenylpropylcarbamoylamino)ethoxy]acetic acid is sourced from PubChem (CID 79463144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).