2-(2-propan-2-yloxyanilino)-N-(pyridin-2-ylmethyl)acetamide

C17H21N3O2 — CID 108999278

IUPAC2-(2-propan-2-yloxyanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(C)Oc1ccccc1NCC(=O)NCc1ccccn1
InChIInChI=1S/C17H21N3O2/c1-13(2)22-16-9-4-3-8-15(16)19-12-17(21)20-11-14-7-5-6-10-18-14/h3-10,13,19H,11-12H2,1-2H3,(H,20,21)
InChIKeyZRHZZEZSXUAZAF-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.60
Rot. Bonds7

About 2-(2-propan-2-yloxyanilino)-N-(pyridin-2-ylmethyl)acetamide

2-(2-propan-2-yloxyanilino)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 108999278) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(2-propan-2-yloxyanilino)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-propan-2-yloxyanilino)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID108999278
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-(2-propan-2-yloxyanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(C)Oc1ccccc1NCC(=O)NCc1ccccn1
InChIInChI=1S/C17H21N3O2/c1-13(2)22-16-9-4-3-8-15(16)19-12-17(21)20-11-14-7-5-6-10-18-14/h3-10,13,19H,11-12H2,1-2H3,(H,20,21)
InChIKeyZRHZZEZSXUAZAF-UHFFFAOYSA-N
XLogP2.60
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999248
2-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999257
2-(2-propan-2-yloxyanilino)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 54831154
2-(2-methoxy-5-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999277
2-(naphthalen-1-ylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54809130
N'-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947531
2-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999289
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]propanamide
CID 47412168
2-(2,4-dichloroanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999324
N-(2-phenylmethoxyphenyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 54828582
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
2-[2-(2-phenoxyethoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54827093

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yloxyanilino)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-propan-2-yloxyanilino)-N-(pyridin-2-ylmethyl)acetamide (CID 108999278) is 2-(2-propan-2-yloxyanilino)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-propan-2-yloxyanilino)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-propan-2-yloxyanilino)-N-(pyridin-2-ylmethyl)acetamide is CC(C)Oc1ccccc1NCC(=O)NCc1ccccn1.
What is the InChIKey of 2-(2-propan-2-yloxyanilino)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is ZRHZZEZSXUAZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13(2)22-16-9-4-3-8-15(16)19-12-17(21)20-11-14-7-5-6-10-18-14/h3-10,13,19H,11-12H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-propan-2-yloxyanilino)-N-(pyridin-2-ylmethyl)acetamide?
2-(2-propan-2-yloxyanilino)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 299.37 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxyanilino)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 108999278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).