2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-(2-methylpropyl)amino]acetic acid

C21H26N2O5 — CID 120517164

IUPAC2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-(2-methylpropyl)amino]acetic acid
SMILESCCOc1cc(C(=O)N(CC(=O)O)CC(C)C)ccc1OCc1cccnc1
InChIInChI=1S/C21H26N2O5/c1-4-27-19-10-17(21(26)23(12-15(2)3)13-20(24)25)7-8-18(19)28-14-16-6-5-9-22-11-16/h5-11,15H,4,12-14H2,1-3H3,(H,24,25)
InChIKeyFJTOBGYWVPYXAH-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.24
Rot. Bonds10

About 2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-(2-methylpropyl)amino]acetic acid

2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 120517164) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-(2-methylpropyl)amino]acetic acid
PubChem CID120517164
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-(2-methylpropyl)amino]acetic acid
SMILESCCOc1cc(C(=O)N(CC(=O)O)CC(C)C)ccc1OCc1cccnc1
InChIInChI=1S/C21H26N2O5/c1-4-27-19-10-17(21(26)23(12-15(2)3)13-20(24)25)7-8-18(19)28-14-16-6-5-9-22-11-16/h5-11,15H,4,12-14H2,1-3H3,(H,24,25)
InChIKeyFJTOBGYWVPYXAH-UHFFFAOYSA-N
XLogP3.24
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-ethoxy-N-propan-2-yl-4-(pyridin-3-ylmethoxy)benzamide
CID 52663723
3-ethoxy-N-ethyl-N-[(3-fluorophenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46588810
ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682643
(2R)-2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-4-methylpentanoic acid
CID 119363379
3-ethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 30837367
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)-N-(3,3,3-trifluoropropyl)benzamide
CID 86833584
N-[(2,4-dimethylphenyl)methyl]-3-ethoxy-N-methyl-4-(pyridin-3-ylmethoxy)benzamide
CID 46598269
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480
3-ethoxy-N-[(1R,2R)-2-hydroxycyclopentyl]-N-methyl-4-(pyridin-3-ylmethoxy)benzamide
CID 126798729
3-ethoxy-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-4-(pyridin-3-ylmethoxy)benzamide
CID 47919453

Frequently Asked Questions

What is the IUPAC name of 2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-(2-methylpropyl)amino]acetic acid (CID 120517164) is 2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-(2-methylpropyl)amino]acetic acid is CCOc1cc(C(=O)N(CC(=O)O)CC(C)C)ccc1OCc1cccnc1.
What is the InChIKey of 2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is FJTOBGYWVPYXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-4-27-19-10-17(21(26)23(12-15(2)3)13-20(24)25)7-8-18(19)28-14-16-6-5-9-22-11-16/h5-11,15H,4,12-14H2,1-3H3,(H,24,25).
What are the key properties of 2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-(2-methylpropyl)amino]acetic acid?
2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 386.45 g/mol, XLogP of 3.24, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 120517164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).