2-[3-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]phenoxy]acetic acid

C19H21NO6 — CID 119246780

IUPAC2-[3-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]phenoxy]acetic acid
SMILESCOc1cc(C(=O)NCc2cccc(OCC(=O)O)c2)cc(OC)c1C
InChIInChI=1S/C19H21NO6/c1-12-16(24-2)8-14(9-17(12)25-3)19(23)20-10-13-5-4-6-15(7-13)26-11-18(21)22/h4-9H,10-11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyOEJWLBZSVNXUSF-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.41
Rot. Bonds8

About 2-[3-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]phenoxy]acetic acid

2-[3-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]phenoxy]acetic acid (PubChem CID 119246780) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-[3-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]phenoxy]acetic acid
PubChem CID119246780
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name2-[3-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]phenoxy]acetic acid
SMILESCOc1cc(C(=O)NCc2cccc(OCC(=O)O)c2)cc(OC)c1C
InChIInChI=1S/C19H21NO6/c1-12-16(24-2)8-14(9-17(12)25-3)19(23)20-10-13-5-4-6-15(7-13)26-11-18(21)22/h4-9H,10-11H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyOEJWLBZSVNXUSF-UHFFFAOYSA-N
XLogP2.41
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluorophenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 52570640
3,5-dimethoxy-N-[(3-methoxyphenyl)methyl]-4-phenylmethoxybenzamide
CID 9456400
N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 92683249
2-[3-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]phenoxy]acetic acid
CID 66775114
2-[3-[[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]methyl]phenoxy]acetic acid
CID 119246830
4-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
CID 61028664
N-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 34485959
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
3-ethoxy-4-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 38652199
2-[3-[[[2-(2,5-dimethylphenoxy)acetyl]amino]methyl]phenoxy]acetic acid
CID 119246591
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924
2-[3-[[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]methyl]phenoxy]acetic acid
CID 122107947

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]phenoxy]acetic acid (CID 119246780) is 2-[3-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]phenoxy]acetic acid is COc1cc(C(=O)NCc2cccc(OCC(=O)O)c2)cc(OC)c1C.
What is the InChIKey of 2-[3-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]phenoxy]acetic acid?
The InChIKey is OEJWLBZSVNXUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-12-16(24-2)8-14(9-17(12)25-3)19(23)20-10-13-5-4-6-15(7-13)26-11-18(21)22/h4-9H,10-11H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 2-[3-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]phenoxy]acetic acid?
2-[3-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]phenoxy]acetic acid has a molecular weight of 359.38 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(3,5-dimethoxy-4-methylbenzoyl)amino]methyl]phenoxy]acetic acid is sourced from PubChem (CID 119246780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).