N-benzylacetamide;ethanamine

C11H18N2O — CID 22257034

IUPACN-benzylacetamide;ethanamine
SMILESCC(=O)NCc1ccccc1.CCN
InChIInChI=1S/C9H11NO.C2H7N/c1-8(11)10-7-9-5-3-2-4-6-9;1-2-3/h2-6H,7H2,1H3,(H,10,11);2-3H2,1H3
InChIKeySJKVHBFPILIEDE-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.29
Rot. Bonds2

About N-benzylacetamide;ethanamine

N-benzylacetamide;ethanamine (PubChem CID 22257034) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-benzylacetamide;ethanamine.

Molecular Properties

Compound NameN-benzylacetamide;ethanamine
PubChem CID22257034
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-benzylacetamide;ethanamine
SMILESCC(=O)NCc1ccccc1.CCN
InChIInChI=1S/C9H11NO.C2H7N/c1-8(11)10-7-9-5-3-2-4-6-9;1-2-3/h2-6H,7H2,1H3,(H,10,11);2-3H2,1H3
InChIKeySJKVHBFPILIEDE-UHFFFAOYSA-N
XLogP1.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzylacetamide;toluene
CID 175498463
N-[(4-anilinophenyl)methyl]acetamide
CID 11853463
ethane;N-[(4-ethylphenyl)methyl]acetamide
CID 143474952
benzene;ethyl N-benzylcarbamate
CID 67715166
N-benzyl-2-methylprop-2-enamide;hydrazine
CID 157480946
N-[[4-(2-aminophenyl)phenyl]methyl]acetamide
CID 171795259
benzene;benzylurea;hydrazine
CID 68793593
N-benzyl-2-hydrazinylacetamide
CID 15514349
N'-benzyloxamide
CID 561416
N-[(4-iodophenyl)methyl]acetamide
CID 23111624
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979
(2R)-2-[(2-acetamidoacetyl)amino]-N-benzyl-3-phenylpropanamide
CID 101192058

Frequently Asked Questions

What is the IUPAC name of N-benzylacetamide;ethanamine?
The IUPAC name of N-benzylacetamide;ethanamine (CID 22257034) is N-benzylacetamide;ethanamine.
What is the SMILES notation for N-benzylacetamide;ethanamine?
The canonical SMILES for N-benzylacetamide;ethanamine is CC(=O)NCc1ccccc1.CCN.
What is the InChIKey of N-benzylacetamide;ethanamine?
The InChIKey is SJKVHBFPILIEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.C2H7N/c1-8(11)10-7-9-5-3-2-4-6-9;1-2-3/h2-6H,7H2,1H3,(H,10,11);2-3H2,1H3.
What are the key properties of N-benzylacetamide;ethanamine?
N-benzylacetamide;ethanamine has a molecular weight of 194.28 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylacetamide;ethanamine is sourced from PubChem (CID 22257034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).