2-[2-(1-phenylpropan-2-ylcarbamoylamino)ethoxy]acetic acid

C14H20N2O4 — CID 79464414

IUPAC2-[2-(1-phenylpropan-2-ylcarbamoylamino)ethoxy]acetic acid
SMILESCC(Cc1ccccc1)NC(=O)NCCOCC(=O)O
InChIInChI=1S/C14H20N2O4/c1-11(9-12-5-3-2-4-6-12)16-14(19)15-7-8-20-10-13(17)18/h2-6,11H,7-10H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyABCNBGXLIKZRPY-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.02
Rot. Bonds8

About 2-[2-(1-phenylpropan-2-ylcarbamoylamino)ethoxy]acetic acid

2-[2-(1-phenylpropan-2-ylcarbamoylamino)ethoxy]acetic acid (PubChem CID 79464414) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[2-(1-phenylpropan-2-ylcarbamoylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(1-phenylpropan-2-ylcarbamoylamino)ethoxy]acetic acid
PubChem CID79464414
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[2-(1-phenylpropan-2-ylcarbamoylamino)ethoxy]acetic acid
SMILESCC(Cc1ccccc1)NC(=O)NCCOCC(=O)O
InChIInChI=1S/C14H20N2O4/c1-11(9-12-5-3-2-4-6-12)16-14(19)15-7-8-20-10-13(17)18/h2-6,11H,7-10H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyABCNBGXLIKZRPY-UHFFFAOYSA-N
XLogP1.02
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
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-[2-[1-(2-fluorophenyl)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463734
2-[2-(3-phenylpropylcarbamoylamino)ethoxy]acetic acid
CID 79463144
2-[2-[1-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid
CID 79464025
2-methyl-3-(1-phenylpropan-2-ylcarbamoylamino)propanoic acid
CID 63012316
1-[(2S)-1-(4-hydroxyphenyl)propan-2-yl]-3-(2-methoxyethyl)urea
CID 94197717
2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]ethoxy]acetic acid
CID 79463151
(2R)-2-amino-3-methyl-N-(1-phenylpropan-2-yl)butanamide
CID 79012840
2-[2-(1-cyclopropylethylcarbamoylamino)ethoxy]acetic acid
CID 79463822
(2R)-2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-phenylpropanamide
CID 106236520
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-phenylpropanamide
CID 106236678
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-phenylpropan-2-ylcarbamoylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(1-phenylpropan-2-ylcarbamoylamino)ethoxy]acetic acid (CID 79464414) is 2-[2-(1-phenylpropan-2-ylcarbamoylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(1-phenylpropan-2-ylcarbamoylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(1-phenylpropan-2-ylcarbamoylamino)ethoxy]acetic acid is CC(Cc1ccccc1)NC(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-(1-phenylpropan-2-ylcarbamoylamino)ethoxy]acetic acid?
The InChIKey is ABCNBGXLIKZRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-11(9-12-5-3-2-4-6-12)16-14(19)15-7-8-20-10-13(17)18/h2-6,11H,7-10H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[2-(1-phenylpropan-2-ylcarbamoylamino)ethoxy]acetic acid?
2-[2-(1-phenylpropan-2-ylcarbamoylamino)ethoxy]acetic acid has a molecular weight of 280.32 g/mol, XLogP of 1.02, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-phenylpropan-2-ylcarbamoylamino)ethoxy]acetic acid is sourced from PubChem (CID 79464414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).