2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)acetamide

C18H21N3O2 — CID 113161783

IUPAC2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1cccnc1)Cc1ccc(C)cc1
InChIInChI=1S/C18H21N3O2/c1-14-5-7-16(8-6-14)12-21(15(2)22)13-18(23)20-11-17-4-3-9-19-10-17/h3-10H,11-13H2,1-2H3,(H,20,23)
InChIKeyUBHYWRHCZZOLOF-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.05
Rot. Bonds6

About 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)acetamide

2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 113161783) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID113161783
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)acetamide
SMILESCC(=O)N(CC(=O)NCc1cccnc1)Cc1ccc(C)cc1
InChIInChI=1S/C18H21N3O2/c1-14-5-7-16(8-6-14)12-21(15(2)22)13-18(23)20-11-17-4-3-9-19-10-17/h3-10H,11-13H2,1-2H3,(H,20,23)
InChIKeyUBHYWRHCZZOLOF-UHFFFAOYSA-N
XLogP2.05
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113163586
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113161771
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide
CID 113163640
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113160421
2-[acetyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113162350
2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113167103
2-[acetyl(pyridin-4-ylmethyl)amino]-N-[(4-chlorophenyl)methyl]acetamide
CID 113163778
2-[2-hydroxyethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 111113305
3-[acetyl(benzyl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 113118207
2-[acetyl(benzyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 113161182
2-(N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1137913
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-benzylacetamide
CID 113163044

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)acetamide (CID 113161783) is 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)acetamide is CC(=O)N(CC(=O)NCc1cccnc1)Cc1ccc(C)cc1.
What is the InChIKey of 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is UBHYWRHCZZOLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-14-5-7-16(8-6-14)12-21(15(2)22)13-18(23)20-11-17-4-3-9-19-10-17/h3-10H,11-13H2,1-2H3,(H,20,23).
What are the key properties of 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)acetamide?
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 311.39 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[(4-methylphenyl)methyl]amino]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 113161783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).