2-[2-(4-phenylbutan-2-ylcarbamoylamino)ethoxy]acetic acid

C15H22N2O4 — CID 79463522

IUPAC2-[2-(4-phenylbutan-2-ylcarbamoylamino)ethoxy]acetic acid
SMILESCC(CCc1ccccc1)NC(=O)NCCOCC(=O)O
InChIInChI=1S/C15H22N2O4/c1-12(7-8-13-5-3-2-4-6-13)17-15(20)16-9-10-21-11-14(18)19/h2-6,12H,7-11H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyFMSMGENUSBZGNK-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.41
Rot. Bonds9

About 2-[2-(4-phenylbutan-2-ylcarbamoylamino)ethoxy]acetic acid

2-[2-(4-phenylbutan-2-ylcarbamoylamino)ethoxy]acetic acid (PubChem CID 79463522) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[2-(4-phenylbutan-2-ylcarbamoylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(4-phenylbutan-2-ylcarbamoylamino)ethoxy]acetic acid
PubChem CID79463522
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[2-(4-phenylbutan-2-ylcarbamoylamino)ethoxy]acetic acid
SMILESCC(CCc1ccccc1)NC(=O)NCCOCC(=O)O
InChIInChI=1S/C15H22N2O4/c1-12(7-8-13-5-3-2-4-6-13)17-15(20)16-9-10-21-11-14(18)19/h2-6,12H,7-11H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyFMSMGENUSBZGNK-UHFFFAOYSA-N
XLogP1.41
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.41
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-(1-phenylpropan-2-ylcarbamoylamino)ethoxy]acetic acid
CID 79464414
2-[2-(3-phenylpropylcarbamoylamino)ethoxy]acetic acid
CID 79463144
1-[2-(methanesulfonamido)ethyl]-3-[(2R)-4-phenylbutan-2-yl]urea
CID 36507811
2-[2-[1-(2-fluorophenyl)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463734
2-[2-[1-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid
CID 79464025
2-[2-[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]ethoxy]acetic acid
CID 79463151
1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine
CID 111171807
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
1-[2-(2-methoxyethoxy)ethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111171806
2-[2-(2-pyridin-4-ylethylcarbamoylamino)ethoxy]acetic acid
CID 79464389

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-phenylbutan-2-ylcarbamoylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(4-phenylbutan-2-ylcarbamoylamino)ethoxy]acetic acid (CID 79463522) is 2-[2-(4-phenylbutan-2-ylcarbamoylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(4-phenylbutan-2-ylcarbamoylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(4-phenylbutan-2-ylcarbamoylamino)ethoxy]acetic acid is CC(CCc1ccccc1)NC(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-(4-phenylbutan-2-ylcarbamoylamino)ethoxy]acetic acid?
The InChIKey is FMSMGENUSBZGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-12(7-8-13-5-3-2-4-6-13)17-15(20)16-9-10-21-11-14(18)19/h2-6,12H,7-11H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[2-(4-phenylbutan-2-ylcarbamoylamino)ethoxy]acetic acid?
2-[2-(4-phenylbutan-2-ylcarbamoylamino)ethoxy]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 1.41, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenylbutan-2-ylcarbamoylamino)ethoxy]acetic acid is sourced from PubChem (CID 79463522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).