N-benzylacetamide;toluene

C16H19NO — CID 175498463

IUPACN-benzylacetamide;toluene
SMILESCC(=O)NCc1ccccc1.Cc1ccccc1
InChIInChI=1S/C9H11NO.C7H8/c1-8(11)10-7-9-5-3-2-4-6-9;1-7-5-3-2-4-6-7/h2-6H,7H2,1H3,(H,10,11);2-6H,1H3
InChIKeyYPFSZCMDBLESJJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.32
Rot. Bonds2

About N-benzylacetamide;toluene

N-benzylacetamide;toluene (PubChem CID 175498463) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is N-benzylacetamide;toluene.

Molecular Properties

Compound NameN-benzylacetamide;toluene
PubChem CID175498463
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC NameN-benzylacetamide;toluene
SMILESCC(=O)NCc1ccccc1.Cc1ccccc1
InChIInChI=1S/C9H11NO.C7H8/c1-8(11)10-7-9-5-3-2-4-6-9;1-7-5-3-2-4-6-7/h2-6H,7H2,1H3,(H,10,11);2-6H,1H3
InChIKeyYPFSZCMDBLESJJ-UHFFFAOYSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzylacetamide;ethanamine
CID 22257034
2-acetamidoacetamide;ethane;toluene
CID 145152417
N-[(4-anilinophenyl)methyl]acetamide
CID 11853463
N-[[4-(2-aminophenyl)phenyl]methyl]acetamide
CID 171795259
(4-methylphenyl) N-benzylcarbamate
CID 14292552
(E)-N-benzyl-4-oxopent-2-enamide
CID 131237691
1-benzyl-3-[(4-methylphenyl)methyl]thiourea
CID 2441501
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
N-[(4-iodophenyl)methyl]acetamide
CID 23111624
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979
4-(acetamidomethyl)-N-(4-phenylphenyl)benzamide
CID 78805930
(2R)-2-[(2-acetamidoacetyl)amino]-N-benzyl-3-phenylpropanamide
CID 101192058

Frequently Asked Questions

What is the IUPAC name of N-benzylacetamide;toluene?
The IUPAC name of N-benzylacetamide;toluene (CID 175498463) is N-benzylacetamide;toluene.
What is the SMILES notation for N-benzylacetamide;toluene?
The canonical SMILES for N-benzylacetamide;toluene is CC(=O)NCc1ccccc1.Cc1ccccc1.
What is the InChIKey of N-benzylacetamide;toluene?
The InChIKey is YPFSZCMDBLESJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C7H8/c1-8(11)10-7-9-5-3-2-4-6-9;1-7-5-3-2-4-6-7/h2-6H,7H2,1H3,(H,10,11);2-6H,1H3.
What are the key properties of N-benzylacetamide;toluene?
N-benzylacetamide;toluene has a molecular weight of 241.33 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylacetamide;toluene is sourced from PubChem (CID 175498463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).