2-[2-ethoxy-4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenoxy]acetic acid

C20H23NO6 — CID 119184092

IUPAC2-[2-ethoxy-4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)NCC(O)Cc2ccccc2)ccc1OCC(=O)O
InChIInChI=1S/C20H23NO6/c1-2-26-18-11-15(8-9-17(18)27-13-19(23)24)20(25)21-12-16(22)10-14-6-4-3-5-7-14/h3-9,11,16,22H,2,10,12-13H2,1H3,(H,21,25)(H,23,24)
InChIKeyNLTAHGICXIKZNB-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.88
Rot. Bonds10

About 2-[2-ethoxy-4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenoxy]acetic acid

2-[2-ethoxy-4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenoxy]acetic acid (PubChem CID 119184092) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenoxy]acetic acid
PubChem CID119184092
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name2-[2-ethoxy-4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)NCC(O)Cc2ccccc2)ccc1OCC(=O)O
InChIInChI=1S/C20H23NO6/c1-2-26-18-11-15(8-9-17(18)27-13-19(23)24)20(25)21-12-16(22)10-14-6-4-3-5-7-14/h3-9,11,16,22H,2,10,12-13H2,1H3,(H,21,25)(H,23,24)
InChIKeyNLTAHGICXIKZNB-UHFFFAOYSA-N
XLogP1.88
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235
2-[2-ethoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetic acid
CID 119179703
3-fluoro-N-(2-hydroxy-3-phenylpropyl)-4-methoxybenzamide
CID 86264345
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
N-(2-hydroxy-3-phenylpropyl)-3-propoxybenzamide
CID 111102702
2-[2-ethoxy-4-[(2-methyl-1,3-dihydroinden-2-yl)carbamoyl]phenoxy]acetic acid
CID 120550756
N-benzyl-3-ethoxy-4-phenylmethoxybenzamide
CID 2192321
3-ethoxy-N-(2-hydroxy-2-phenylethyl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55457672
2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119181430
2-[2-ethoxy-4-[(4-methylsulfanylphenyl)methylcarbamoyl]phenoxy]acetic acid
CID 119182333
N-benzyl-3-ethoxy-4-propoxybenzamide
CID 4264811

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenoxy]acetic acid (CID 119184092) is 2-[2-ethoxy-4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenoxy]acetic acid is CCOc1cc(C(=O)NCC(O)Cc2ccccc2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenoxy]acetic acid?
The InChIKey is NLTAHGICXIKZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-2-26-18-11-15(8-9-17(18)27-13-19(23)24)20(25)21-12-16(22)10-14-6-4-3-5-7-14/h3-9,11,16,22H,2,10,12-13H2,1H3,(H,21,25)(H,23,24).
What are the key properties of 2-[2-ethoxy-4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenoxy]acetic acid has a molecular weight of 373.41 g/mol, XLogP of 1.88, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119184092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).