2-[4-[(4-methoxy-2-propan-2-yloxybenzoyl)amino]-3-methylphenoxy]acetic acid

C20H23NO6 — CID 120687359

IUPAC2-[4-[(4-methoxy-2-propan-2-yloxybenzoyl)amino]-3-methylphenoxy]acetic acid
SMILESCOc1ccc(C(=O)Nc2ccc(OCC(=O)O)cc2C)c(OC(C)C)c1
InChIInChI=1S/C20H23NO6/c1-12(2)27-18-10-14(25-4)5-7-16(18)20(24)21-17-8-6-15(9-13(17)3)26-11-19(22)23/h5-10,12H,11H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyIGZGNRUKPQMVRC-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.51
Rot. Bonds8

About 2-[4-[(4-methoxy-2-propan-2-yloxybenzoyl)amino]-3-methylphenoxy]acetic acid

2-[4-[(4-methoxy-2-propan-2-yloxybenzoyl)amino]-3-methylphenoxy]acetic acid (PubChem CID 120687359) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[4-[(4-methoxy-2-propan-2-yloxybenzoyl)amino]-3-methylphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-methoxy-2-propan-2-yloxybenzoyl)amino]-3-methylphenoxy]acetic acid
PubChem CID120687359
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name2-[4-[(4-methoxy-2-propan-2-yloxybenzoyl)amino]-3-methylphenoxy]acetic acid
SMILESCOc1ccc(C(=O)Nc2ccc(OCC(=O)O)cc2C)c(OC(C)C)c1
InChIInChI=1S/C20H23NO6/c1-12(2)27-18-10-14(25-4)5-7-16(18)20(24)21-17-8-6-15(9-13(17)3)26-11-19(22)23/h5-10,12H,11H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyIGZGNRUKPQMVRC-UHFFFAOYSA-N
XLogP3.51
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylphenyl)-4-methoxy-2-propan-2-yloxybenzamide
CID 119046619
2-[3-methyl-4-(3-methylbutanoylamino)phenoxy]acetic acid
CID 119231825
2-[3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]phenoxy]acetic acid
CID 120524856
2-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231676
2-[4-[[2-(4-iodophenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 17342102
2-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]-3-methylphenoxy]acetic acid
CID 119231516
2-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenoxy]acetic acid
CID 17342101
2-[4-(butanoylamino)-3-methylphenoxy]acetic acid
CID 119231512
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
CID 55945160
2-[4-(2,4-dimethylpent-4-enoylamino)-3-methylphenoxy]acetic acid
CID 120687346
2-[4-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-3-methylphenoxy]acetic acid
CID 119231456
2-[4-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]-3-methylphenoxy]acetic acid
CID 120687330

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxy-2-propan-2-yloxybenzoyl)amino]-3-methylphenoxy]acetic acid?
The IUPAC name of 2-[4-[(4-methoxy-2-propan-2-yloxybenzoyl)amino]-3-methylphenoxy]acetic acid (CID 120687359) is 2-[4-[(4-methoxy-2-propan-2-yloxybenzoyl)amino]-3-methylphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(4-methoxy-2-propan-2-yloxybenzoyl)amino]-3-methylphenoxy]acetic acid?
The canonical SMILES for 2-[4-[(4-methoxy-2-propan-2-yloxybenzoyl)amino]-3-methylphenoxy]acetic acid is COc1ccc(C(=O)Nc2ccc(OCC(=O)O)cc2C)c(OC(C)C)c1.
What is the InChIKey of 2-[4-[(4-methoxy-2-propan-2-yloxybenzoyl)amino]-3-methylphenoxy]acetic acid?
The InChIKey is IGZGNRUKPQMVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-12(2)27-18-10-14(25-4)5-7-16(18)20(24)21-17-8-6-15(9-13(17)3)26-11-19(22)23/h5-10,12H,11H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of 2-[4-[(4-methoxy-2-propan-2-yloxybenzoyl)amino]-3-methylphenoxy]acetic acid?
2-[4-[(4-methoxy-2-propan-2-yloxybenzoyl)amino]-3-methylphenoxy]acetic acid has a molecular weight of 373.41 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxy-2-propan-2-yloxybenzoyl)amino]-3-methylphenoxy]acetic acid is sourced from PubChem (CID 120687359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).