2-[4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]-2-ethoxyphenoxy]acetic acid

C20H29NO5 — CID 119184410

IUPAC2-[4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]-2-ethoxyphenoxy]acetic acid
SMILESCCOc1cc(C(=O)N(C2CC2)C(C)C(C)CC)ccc1OCC(=O)O
InChIInChI=1S/C20H29NO5/c1-5-13(3)14(4)21(16-8-9-16)20(24)15-7-10-17(26-12-19(22)23)18(11-15)25-6-2/h7,10-11,13-14,16H,5-6,8-9,12H2,1-4H3,(H,22,23)
InChIKeyRQAIGTBWYUSVIW-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.59
Rot. Bonds10

About 2-[4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]-2-ethoxyphenoxy]acetic acid

2-[4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]-2-ethoxyphenoxy]acetic acid (PubChem CID 119184410) has the molecular formula C20H29NO5 and a molecular weight of 363.45 g/mol. Its IUPAC name is 2-[4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]-2-ethoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]-2-ethoxyphenoxy]acetic acid
PubChem CID119184410
Molecular FormulaC20H29NO5
Molecular Weight363.45 g/mol
Exact Mass363.20
IUPAC Name2-[4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]-2-ethoxyphenoxy]acetic acid
SMILESCCOc1cc(C(=O)N(C2CC2)C(C)C(C)CC)ccc1OCC(=O)O
InChIInChI=1S/C20H29NO5/c1-5-13(3)14(4)21(16-8-9-16)20(24)15-7-10-17(26-12-19(22)23)18(11-15)25-6-2/h7,10-11,13-14,16H,5-6,8-9,12H2,1-4H3,(H,22,23)
InChIKeyRQAIGTBWYUSVIW-UHFFFAOYSA-N
XLogP3.59
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]-2-ethoxyphenoxy]acetic acid?
The IUPAC name of 2-[4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]-2-ethoxyphenoxy]acetic acid (CID 119184410) is 2-[4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]-2-ethoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]-2-ethoxyphenoxy]acetic acid?
The canonical SMILES for 2-[4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]-2-ethoxyphenoxy]acetic acid is CCOc1cc(C(=O)N(C2CC2)C(C)C(C)CC)ccc1OCC(=O)O.
What is the InChIKey of 2-[4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]-2-ethoxyphenoxy]acetic acid?
The InChIKey is RQAIGTBWYUSVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO5/c1-5-13(3)14(4)21(16-8-9-16)20(24)15-7-10-17(26-12-19(22)23)18(11-15)25-6-2/h7,10-11,13-14,16H,5-6,8-9,12H2,1-4H3,(H,22,23).
What are the key properties of 2-[4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]-2-ethoxyphenoxy]acetic acid?
2-[4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]-2-ethoxyphenoxy]acetic acid has a molecular weight of 363.45 g/mol, XLogP of 3.59, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclopropyl(3-methylpentan-2-yl)carbamoyl]-2-ethoxyphenoxy]acetic acid is sourced from PubChem (CID 119184410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).