2-[2-ethoxy-4-[methyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetic acid

C20H23NO5 — CID 119179457

IUPAC2-[2-ethoxy-4-[methyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(C)cc2)ccc1OCC(=O)O
InChIInChI=1S/C20H23NO5/c1-4-25-18-11-16(9-10-17(18)26-13-19(22)23)20(24)21(3)12-15-7-5-14(2)6-8-15/h5-11H,4,12-13H2,1-3H3,(H,22,23)
InChIKeyDLLUWOYDQPAOTC-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.13
Rot. Bonds8

About 2-[2-ethoxy-4-[methyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetic acid

2-[2-ethoxy-4-[methyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetic acid (PubChem CID 119179457) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[methyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[methyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetic acid
PubChem CID119179457
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name2-[2-ethoxy-4-[methyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N(C)Cc2ccc(C)cc2)ccc1OCC(=O)O
InChIInChI=1S/C20H23NO5/c1-4-25-18-11-16(9-10-17(18)26-13-19(22)23)20(24)21(3)12-15-7-5-14(2)6-8-15/h5-11H,4,12-13H2,1-3H3,(H,22,23)
InChIKeyDLLUWOYDQPAOTC-UHFFFAOYSA-N
XLogP3.13
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119179699
N-[(4-cyanophenyl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 39858958
N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 78780692
2-[2-ethoxy-4-[methyl-[2-(3-methylphenoxy)ethyl]carbamoyl]phenoxy]acetic acid
CID 119181815
N-benzyl-3-ethoxy-N-methyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 29260956
4-ethoxy-3-methoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 78771375
3,4-diethoxy-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylbenzamide
CID 39891647
3,4-diethoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 78768450
2-[2-ethoxy-4-[ethyl(phenyl)carbamoyl]phenoxy]acetic acid
CID 119179131
N-[(4-fluorophenyl)methyl]-N-methyl-3,4-dipropoxybenzamide
CID 55358457
N,N-dibenzyl-3,4-diethoxybenzamide
CID 73441726
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[methyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[methyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetic acid (CID 119179457) is 2-[2-ethoxy-4-[methyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[methyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[methyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetic acid is CCOc1cc(C(=O)N(C)Cc2ccc(C)cc2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[methyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetic acid?
The InChIKey is DLLUWOYDQPAOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-4-25-18-11-16(9-10-17(18)26-13-19(22)23)20(24)21(3)12-15-7-5-14(2)6-8-15/h5-11H,4,12-13H2,1-3H3,(H,22,23).
What are the key properties of 2-[2-ethoxy-4-[methyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[methyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetic acid has a molecular weight of 357.41 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[methyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119179457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).