2-[2-ethoxy-4-[ethyl(oxolan-2-ylmethyl)carbamoyl]phenoxy]acetic acid

C18H25NO6 — CID 119182463

IUPAC2-[2-ethoxy-4-[ethyl(oxolan-2-ylmethyl)carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N(CC)CC2CCCO2)ccc1OCC(=O)O
InChIInChI=1S/C18H25NO6/c1-3-19(11-14-6-5-9-24-14)18(22)13-7-8-15(25-12-17(20)21)16(10-13)23-4-2/h7-8,10,14H,3-6,9,11-12H2,1-2H3,(H,20,21)
InChIKeyDWNAZBFZPHZTQC-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.19
Rot. Bonds9

About 2-[2-ethoxy-4-[ethyl(oxolan-2-ylmethyl)carbamoyl]phenoxy]acetic acid

2-[2-ethoxy-4-[ethyl(oxolan-2-ylmethyl)carbamoyl]phenoxy]acetic acid (PubChem CID 119182463) has the molecular formula C18H25NO6 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[ethyl(oxolan-2-ylmethyl)carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[ethyl(oxolan-2-ylmethyl)carbamoyl]phenoxy]acetic acid
PubChem CID119182463
Molecular FormulaC18H25NO6
Molecular Weight351.40 g/mol
Exact Mass351.17
IUPAC Name2-[2-ethoxy-4-[ethyl(oxolan-2-ylmethyl)carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N(CC)CC2CCCO2)ccc1OCC(=O)O
InChIInChI=1S/C18H25NO6/c1-3-19(11-14-6-5-9-24-14)18(22)13-7-8-15(25-12-17(20)21)16(10-13)23-4-2/h7-8,10,14H,3-6,9,11-12H2,1-2H3,(H,20,21)
InChIKeyDWNAZBFZPHZTQC-UHFFFAOYSA-N
XLogP2.19
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-ethoxy-4-[2-(oxolan-2-yl)ethylcarbamoyl]phenoxy]acetic acid
CID 119180117
N-ethyl-3-hydroxy-4-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 79600203
3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61433455
3-[(3,4-dimethoxybenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209792
2-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 55041803
2-[4-[(5-chlorothiophen-2-yl)methyl-ethylcarbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119179644
3-ethoxy-4-[3-(oxolan-2-yl)propoxy]benzoic acid
CID 65161179
6-amino-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62161209
6-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 95402245
2-[4-[(2-tert-butyloxan-3-yl)methylcarbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119186015
2-[4-[[(2R,3R)-2-tert-butyloxan-3-yl]methylcarbamoyl]-2-ethoxyphenoxy]acetic acid
CID 125153084
N-ethyl-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179784

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[ethyl(oxolan-2-ylmethyl)carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[ethyl(oxolan-2-ylmethyl)carbamoyl]phenoxy]acetic acid (CID 119182463) is 2-[2-ethoxy-4-[ethyl(oxolan-2-ylmethyl)carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[ethyl(oxolan-2-ylmethyl)carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[ethyl(oxolan-2-ylmethyl)carbamoyl]phenoxy]acetic acid is CCOc1cc(C(=O)N(CC)CC2CCCO2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[ethyl(oxolan-2-ylmethyl)carbamoyl]phenoxy]acetic acid?
The InChIKey is DWNAZBFZPHZTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO6/c1-3-19(11-14-6-5-9-24-14)18(22)13-7-8-15(25-12-17(20)21)16(10-13)23-4-2/h7-8,10,14H,3-6,9,11-12H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-ethoxy-4-[ethyl(oxolan-2-ylmethyl)carbamoyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[ethyl(oxolan-2-ylmethyl)carbamoyl]phenoxy]acetic acid has a molecular weight of 351.40 g/mol, XLogP of 2.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[ethyl(oxolan-2-ylmethyl)carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119182463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).