2-[acetyl(1-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide

C18H21N3O2 — CID 113161978

IUPAC2-[acetyl(1-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1ccncc1)C(C)c1ccccc1
InChIInChI=1S/C18H21N3O2/c1-14(17-6-4-3-5-7-17)21(15(2)22)13-18(23)20-12-16-8-10-19-11-9-16/h3-11,14H,12-13H2,1-2H3,(H,20,23)
InChIKeyBKUKSBXTQJPOQW-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.31
Rot. Bonds6

About 2-[acetyl(1-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide

2-[acetyl(1-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 113161978) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[acetyl(1-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[acetyl(1-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID113161978
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2-[acetyl(1-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1ccncc1)C(C)c1ccccc1
InChIInChI=1S/C18H21N3O2/c1-14(17-6-4-3-5-7-17)21(15(2)22)13-18(23)20-12-16-8-10-19-11-9-16/h3-11,14H,12-13H2,1-2H3,(H,20,23)
InChIKeyBKUKSBXTQJPOQW-UHFFFAOYSA-N
XLogP2.31
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(propan-2-yl)amino]-N-benzylacetamide
CID 113158122
2-[acetyl(1-phenylethyl)amino]-N-propylacetamide
CID 113161938
2-[acetyl(1-phenylethyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113161974
2-[acetyl(butan-2-yl)amino]-N-benzylacetamide
CID 113159031
2-[acetyl(1-phenylethyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113161982
2-(N-acetyl-4-propan-2-ylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113169785
2-[acetyl(1-phenylethyl)amino]-N-cyclopropylacetamide
CID 113161940
2-[acetyl(1-phenylethyl)amino]-N-(2,6-dichlorophenyl)acetamide
CID 113162118
2-(N-acetyl-2-ethylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113169052
2-[acetyl(benzyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 133214013
2-[acetyl-[(4-chlorophenyl)methyl]amino]-2-phenyl-N-(pyridin-4-ylmethyl)acetamide
CID 133237321
2-(N-acetyl-2-bromoanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 113177799

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(1-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[acetyl(1-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide (CID 113161978) is 2-[acetyl(1-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[acetyl(1-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[acetyl(1-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide is CC(=O)N(CC(=O)NCc1ccncc1)C(C)c1ccccc1.
What is the InChIKey of 2-[acetyl(1-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is BKUKSBXTQJPOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-14(17-6-4-3-5-7-17)21(15(2)22)13-18(23)20-12-16-8-10-19-11-9-16/h3-11,14H,12-13H2,1-2H3,(H,20,23).
What are the key properties of 2-[acetyl(1-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide?
2-[acetyl(1-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 311.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(1-phenylethyl)amino]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 113161978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).