2-[4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]phenoxy]acetic acid

C19H21NO6 — CID 119255472

IUPAC2-[4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]phenoxy]acetic acid
SMILESCOc1cccc(C(=O)NCCc2ccc(OCC(=O)O)cc2)c1OC
InChIInChI=1S/C19H21NO6/c1-24-16-5-3-4-15(18(16)25-2)19(23)20-11-10-13-6-8-14(9-7-13)26-12-17(21)22/h3-9H,10-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyPXANHVMNYSOBHI-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.14
Rot. Bonds9

About 2-[4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]phenoxy]acetic acid

2-[4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]phenoxy]acetic acid (PubChem CID 119255472) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-[4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]phenoxy]acetic acid
PubChem CID119255472
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name2-[4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]phenoxy]acetic acid
SMILESCOc1cccc(C(=O)NCCc2ccc(OCC(=O)O)cc2)c1OC
InChIInChI=1S/C19H21NO6/c1-24-16-5-3-4-15(18(16)25-2)19(23)20-11-10-13-6-8-14(9-7-13)26-12-17(21)22/h3-9H,10-12H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyPXANHVMNYSOBHI-UHFFFAOYSA-N
XLogP2.14
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 35509323
4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]benzoic acid
CID 45347542
N-[2-(4-ethylphenoxy)ethyl]-2,3-dimethoxybenzamide
CID 100531701
2-[4-[2-[[2-(methoxymethyl)benzoyl]amino]ethyl]phenoxy]acetic acid
CID 119255595
4-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119247051
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 16889313
N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 2231008
2,3-dimethoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434413
2-[4-[2-[(2-methoxybenzoyl)amino]ethyl]phenyl]acetic acid
CID 23453032
2-[4-[2-(3-methoxypropanoylamino)ethyl]phenoxy]acetic acid
CID 119255509
2-[4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255722
N-(3-iodopropyl)-2,3-dimethoxybenzamide
CID 114504514

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]phenoxy]acetic acid (CID 119255472) is 2-[4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]phenoxy]acetic acid is COc1cccc(C(=O)NCCc2ccc(OCC(=O)O)cc2)c1OC.
What is the InChIKey of 2-[4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]phenoxy]acetic acid?
The InChIKey is PXANHVMNYSOBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-24-16-5-3-4-15(18(16)25-2)19(23)20-11-10-13-6-8-14(9-7-13)26-12-17(21)22/h3-9H,10-12H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-[4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]phenoxy]acetic acid?
2-[4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]phenoxy]acetic acid has a molecular weight of 359.38 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]phenoxy]acetic acid is sourced from PubChem (CID 119255472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).