2-[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]-2-ethoxyphenoxy]acetic acid

C20H23NO7 — CID 119179401

IUPAC2-[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]-2-ethoxyphenoxy]acetic acid
SMILESCCOc1cc(C(=O)Nc2cc(OC)c(OC)cc2C)ccc1OCC(=O)O
InChIInChI=1S/C20H23NO7/c1-5-27-18-9-13(6-7-15(18)28-11-19(22)23)20(24)21-14-10-17(26-4)16(25-3)8-12(14)2/h6-10H,5,11H2,1-4H3,(H,21,24)(H,22,23)
InChIKeySQEJSJONISLEIL-UHFFFAOYSA-N
MW389.40 g/mol
LogP3.13
Rot. Bonds9

About 2-[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]-2-ethoxyphenoxy]acetic acid

2-[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]-2-ethoxyphenoxy]acetic acid (PubChem CID 119179401) has the molecular formula C20H23NO7 and a molecular weight of 389.40 g/mol. Its IUPAC name is 2-[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]-2-ethoxyphenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]-2-ethoxyphenoxy]acetic acid
PubChem CID119179401
Molecular FormulaC20H23NO7
Molecular Weight389.40 g/mol
Exact Mass389.15
IUPAC Name2-[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]-2-ethoxyphenoxy]acetic acid
SMILESCCOc1cc(C(=O)Nc2cc(OC)c(OC)cc2C)ccc1OCC(=O)O
InChIInChI=1S/C20H23NO7/c1-5-27-18-9-13(6-7-15(18)28-11-19(22)23)20(24)21-14-10-17(26-4)16(25-3)8-12(14)2/h6-10H,5,11H2,1-4H3,(H,21,24)(H,22,23)
InChIKeySQEJSJONISLEIL-UHFFFAOYSA-N
XLogP3.13
TPSA103.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-N-(2-ethoxy-4-methylphenyl)-3-methoxybenzamide
CID 87027059
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
2-[2-ethoxy-4-[(2-propan-2-yloxyphenyl)carbamoyl]phenoxy]acetic acid
CID 119180523
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide
CID 46489735
4-ethoxy-3-methoxy-N-(2-phenoxyphenyl)benzamide
CID 24583790
N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethoxybenzamide
CID 1296960
3-ethoxy-N-(2-methoxyphenyl)-4-phenylmethoxybenzamide
CID 126087524
2-[3-[[3-[(3,4-dimethoxybenzoyl)amino]-4-methylphenyl]carbamoyl]phenoxy]acetic acid
CID 22291006
2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-methylphenyl)benzamide
CID 8872324

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]-2-ethoxyphenoxy]acetic acid?
The IUPAC name of 2-[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]-2-ethoxyphenoxy]acetic acid (CID 119179401) is 2-[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]-2-ethoxyphenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]-2-ethoxyphenoxy]acetic acid?
The canonical SMILES for 2-[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]-2-ethoxyphenoxy]acetic acid is CCOc1cc(C(=O)Nc2cc(OC)c(OC)cc2C)ccc1OCC(=O)O.
What is the InChIKey of 2-[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]-2-ethoxyphenoxy]acetic acid?
The InChIKey is SQEJSJONISLEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO7/c1-5-27-18-9-13(6-7-15(18)28-11-19(22)23)20(24)21-14-10-17(26-4)16(25-3)8-12(14)2/h6-10H,5,11H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of 2-[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]-2-ethoxyphenoxy]acetic acid?
2-[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]-2-ethoxyphenoxy]acetic acid has a molecular weight of 389.40 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]-2-ethoxyphenoxy]acetic acid is sourced from PubChem (CID 119179401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).