N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride

C11H16ClNO — CID 67025739

IUPACN-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
SMILESCC(=O)NCCc1ccc(C)cc1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-9-3-5-11(6-4-9)7-8-12-10(2)13;/h3-6H,7-8H2,1-2H3,(H,12,13);1H
InChIKeyDWRNIUYCGCNZCH-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.10
Rot. Bonds3

About N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride

N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride (PubChem CID 67025739) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
PubChem CID67025739
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC NameN-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
SMILESCC(=O)NCCc1ccc(C)cc1.Cl
InChIInChI=1S/C11H15NO.ClH/c1-9-3-5-11(6-4-9)7-8-12-10(2)13;/h3-6H,7-8H2,1-2H3,(H,12,13);1H
InChIKeyDWRNIUYCGCNZCH-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen
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N-[2-(4-methylphenyl)ethyl]-3-oxobutanamide
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1-methyl-3-[2-(4-methylphenyl)ethyl]urea
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(2R)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
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(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]propanamide;hydrochloride
CID 119326870
N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide
CID 9343361
ethyl N-[2-(4-methylphenyl)ethyl]carbamate
CID 22253656
N'-hydroxy-N-[2-(4-methylphenyl)ethyl]butanediamide
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3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide
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N-[2-(3-chloro-4-methylphenyl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride?
The IUPAC name of N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride (CID 67025739) is N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride is CC(=O)NCCc1ccc(C)cc1.Cl.
What is the InChIKey of N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride?
The InChIKey is DWRNIUYCGCNZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-9-3-5-11(6-4-9)7-8-12-10(2)13;/h3-6H,7-8H2,1-2H3,(H,12,13);1H.
What are the key properties of N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride?
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride is sourced from PubChem (CID 67025739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).