2-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)acetamide

C18H23N3O — CID 108999257

IUPAC2-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(C)(C)c1ccccc1NCC(=O)NCc1ccccn1
InChIInChI=1S/C18H23N3O/c1-18(2,3)15-9-4-5-10-16(15)20-13-17(22)21-12-14-8-6-7-11-19-14/h4-11,20H,12-13H2,1-3H3,(H,21,22)
InChIKeyNUJZCCWXQHXGJB-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.11
Rot. Bonds5

About 2-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)acetamide

2-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 108999257) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID108999257
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESCC(C)(C)c1ccccc1NCC(=O)NCc1ccccn1
InChIInChI=1S/C18H23N3O/c1-18(2,3)15-9-4-5-10-16(15)20-13-17(22)21-12-14-8-6-7-11-19-14/h4-11,20H,12-13H2,1-3H3,(H,21,22)
InChIKeyNUJZCCWXQHXGJB-UHFFFAOYSA-N
XLogP3.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-tert-butylphenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 86919838
2-(2-ethylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999248
2-(2-propan-2-yloxyanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999278
2-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999289
2-(2-tert-butylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 30717585
N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]propanamide
CID 47412168
2-(2,4-dichloroanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999324
2-(2-methoxy-5-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999277
6-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120862
N-(pyridin-2-ylmethyl)-2-[4-(trifluoromethyl)anilino]acetamide
CID 108999285
2-(2-morpholin-4-ylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999300
2,2-dimethyl-N,N'-bis(pyridin-2-ylmethyl)propanediamide
CID 108963334

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)acetamide (CID 108999257) is 2-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)acetamide is CC(C)(C)c1ccccc1NCC(=O)NCc1ccccn1.
What is the InChIKey of 2-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is NUJZCCWXQHXGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-18(2,3)15-9-4-5-10-16(15)20-13-17(22)21-12-14-8-6-7-11-19-14/h4-11,20H,12-13H2,1-3H3,(H,21,22).
What are the key properties of 2-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)acetamide?
2-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 297.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylanilino)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 108999257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).