ethane;N-[(4-ethylphenyl)methyl]acetamide

C13H21NO — CID 143474952

IUPACethane;N-[(4-ethylphenyl)methyl]acetamide
SMILESCC.CCc1ccc(CNC(C)=O)cc1
InChIInChI=1S/C11H15NO.C2H6/c1-3-10-4-6-11(7-5-10)8-12-9(2)13;1-2/h4-7H,3,8H2,1-2H3,(H,12,13);1-2H3
InChIKeyBBGCIHSFSASXRH-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.91
Rot. Bonds3

About ethane;N-[(4-ethylphenyl)methyl]acetamide

ethane;N-[(4-ethylphenyl)methyl]acetamide (PubChem CID 143474952) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is ethane;N-[(4-ethylphenyl)methyl]acetamide.

Molecular Properties

Compound Nameethane;N-[(4-ethylphenyl)methyl]acetamide
PubChem CID143474952
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Nameethane;N-[(4-ethylphenyl)methyl]acetamide
SMILESCC.CCc1ccc(CNC(C)=O)cc1
InChIInChI=1S/C11H15NO.C2H6/c1-3-10-4-6-11(7-5-10)8-12-9(2)13;1-2/h4-7H,3,8H2,1-2H3,(H,12,13);1-2H3
InChIKeyBBGCIHSFSASXRH-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-iodophenyl)methyl]acetamide
CID 23111624
N-[(4-ethylphenyl)methyl]butanamide
CID 110779517
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983
4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409
4-(acetamidomethyl)benzoyl chloride
CID 13131539
N-benzylacetamide;ethanamine
CID 22257034
4-(acetamidomethyl)benzoate
CID 4573914
N-[[3,5-bis(acetamidomethyl)phenyl]methyl]acetamide
CID 70538979
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
[4-(acetamidomethyl)phenyl] acetate
CID 15576450
N-[[4-[(1-hydroxyethylamino)methyl]phenyl]methyl]acetamide
CID 170399576
ethane;N-[(2-ethylphenyl)methyl]acetamide
CID 142489172

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(4-ethylphenyl)methyl]acetamide?
The IUPAC name of ethane;N-[(4-ethylphenyl)methyl]acetamide (CID 143474952) is ethane;N-[(4-ethylphenyl)methyl]acetamide.
What is the SMILES notation for ethane;N-[(4-ethylphenyl)methyl]acetamide?
The canonical SMILES for ethane;N-[(4-ethylphenyl)methyl]acetamide is CC.CCc1ccc(CNC(C)=O)cc1.
What is the InChIKey of ethane;N-[(4-ethylphenyl)methyl]acetamide?
The InChIKey is BBGCIHSFSASXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C2H6/c1-3-10-4-6-11(7-5-10)8-12-9(2)13;1-2/h4-7H,3,8H2,1-2H3,(H,12,13);1-2H3.
What are the key properties of ethane;N-[(4-ethylphenyl)methyl]acetamide?
ethane;N-[(4-ethylphenyl)methyl]acetamide has a molecular weight of 207.32 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(4-ethylphenyl)methyl]acetamide is sourced from PubChem (CID 143474952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).