pyridin-2-ylmethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate

C18H20N2O4 — CID 43053311

IUPACpyridin-2-ylmethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate
SMILESCC(C)Oc1ccc(C(=O)NCC(=O)OCc2ccccn2)cc1
InChIInChI=1S/C18H20N2O4/c1-13(2)24-16-8-6-14(7-9-16)18(22)20-11-17(21)23-12-15-5-3-4-10-19-15/h3-10,13H,11-12H2,1-2H3,(H,20,22)
InChIKeyZKYOTVJLDBYRTD-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.34
Rot. Bonds7

About pyridin-2-ylmethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate

pyridin-2-ylmethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate (PubChem CID 43053311) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is pyridin-2-ylmethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate
PubChem CID43053311
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Namepyridin-2-ylmethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate
SMILESCC(C)Oc1ccc(C(=O)NCC(=O)OCc2ccccn2)cc1
InChIInChI=1S/C18H20N2O4/c1-13(2)24-16-8-6-14(7-9-16)18(22)20-11-17(21)23-12-15-5-3-4-10-19-15/h3-10,13H,11-12H2,1-2H3,(H,20,22)
InChIKeyZKYOTVJLDBYRTD-UHFFFAOYSA-N
XLogP2.34
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylphenoxy)ethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate
CID 42965917
N-[2-(methylamino)propyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 120828245
N-[2-oxo-2-[2-(4-propan-2-yloxybenzoyl)hydrazinyl]ethyl]benzamide
CID 43002548
N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 111480307
N-(2-hydroxy-2,3-dimethylpentyl)-4-(pyridin-2-ylmethoxy)benzamide
CID 111477995
benzyl 2-[[4-(difluoromethoxy)benzoyl]amino]acetate
CID 30581064
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate
CID 18276740
1-(4-propan-2-yloxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 87009807
N-(2-aminoethyl)-4-propan-2-yloxybenzamide
CID 82335676
N-(4-propan-2-yloxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258756
pyridin-2-ylmethyl 2-aminopropanoate
CID 83529934

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate?
The IUPAC name of pyridin-2-ylmethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate (CID 43053311) is pyridin-2-ylmethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate.
What is the SMILES notation for pyridin-2-ylmethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate?
The canonical SMILES for pyridin-2-ylmethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate is CC(C)Oc1ccc(C(=O)NCC(=O)OCc2ccccn2)cc1.
What is the InChIKey of pyridin-2-ylmethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate?
The InChIKey is ZKYOTVJLDBYRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-13(2)24-16-8-6-14(7-9-16)18(22)20-11-17(21)23-12-15-5-3-4-10-19-15/h3-10,13H,11-12H2,1-2H3,(H,20,22).
What are the key properties of pyridin-2-ylmethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate?
pyridin-2-ylmethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate has a molecular weight of 328.37 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 2-[(4-propan-2-yloxybenzoyl)amino]acetate is sourced from PubChem (CID 43053311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).