2-[2-ethoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetic acid

C21H25NO5 — CID 119179703

IUPAC2-[2-ethoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetic acid
SMILESCCOc1cc(C(=O)NCC(CC)c2ccccc2)ccc1OCC(=O)O
InChIInChI=1S/C21H25NO5/c1-3-15(16-8-6-5-7-9-16)13-22-21(25)17-10-11-18(27-14-20(23)24)19(12-17)26-4-2/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyIGTXGCMYRQTWRA-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.47
Rot. Bonds10

About 2-[2-ethoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetic acid

2-[2-ethoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetic acid (PubChem CID 119179703) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is 2-[2-ethoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetic acid
PubChem CID119179703
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name2-[2-ethoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetic acid
SMILESCCOc1cc(C(=O)NCC(CC)c2ccccc2)ccc1OCC(=O)O
InChIInChI=1S/C21H25NO5/c1-3-15(16-8-6-5-7-9-16)13-22-21(25)17-10-11-18(27-14-20(23)24)19(12-17)26-4-2/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyIGTXGCMYRQTWRA-UHFFFAOYSA-N
XLogP3.47
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235
methyl 2-[2-methoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetate
CID 55773551
2-[2-ethoxy-4-[(2-hydroxy-3-phenylpropyl)carbamoyl]phenoxy]acetic acid
CID 119184092
4-ethoxy-N-(2-phenylbutyl)benzamide
CID 17462842
3-methoxy-N-(2-phenylbutyl)-4-propan-2-yloxybenzamide
CID 45351975
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
N-[2-(dimethylamino)-2-phenylethyl]-4-ethoxy-3-methoxybenzamide
CID 51166343
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide
CID 119528578
2-(4-acetyl-2-methoxyphenoxy)-N-(2-phenylbutyl)acetamide
CID 51190365
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
3-ethoxy-4-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
CID 46433040

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetic acid (CID 119179703) is 2-[2-ethoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetic acid is CCOc1cc(C(=O)NCC(CC)c2ccccc2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetic acid?
The InChIKey is IGTXGCMYRQTWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-3-15(16-8-6-5-7-9-16)13-22-21(25)17-10-11-18(27-14-20(23)24)19(12-17)26-4-2/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 2-[2-ethoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetic acid?
2-[2-ethoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetic acid has a molecular weight of 371.43 g/mol, XLogP of 3.47, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetic acid is sourced from PubChem (CID 119179703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).