N-[(4-ethylphenyl)methyl]-2-hydroxy-N-methylacetamide

C12H17NO2 — CID 82126542

IUPACN-[(4-ethylphenyl)methyl]-2-hydroxy-N-methylacetamide
SMILESCCc1ccc(CN(C)C(=O)CO)cc1
InChIInChI=1S/C12H17NO2/c1-3-10-4-6-11(7-5-10)8-13(2)12(15)9-14/h4-7,14H,3,8-9H2,1-2H3
InChIKeyQPNVLUCXGFRSAA-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.20
Rot. Bonds4

About N-[(4-ethylphenyl)methyl]-2-hydroxy-N-methylacetamide

N-[(4-ethylphenyl)methyl]-2-hydroxy-N-methylacetamide (PubChem CID 82126542) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-hydroxy-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-hydroxy-N-methylacetamide
PubChem CID82126542
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[(4-ethylphenyl)methyl]-2-hydroxy-N-methylacetamide
SMILESCCc1ccc(CN(C)C(=O)CO)cc1
InChIInChI=1S/C12H17NO2/c1-3-10-4-6-11(7-5-10)8-13(2)12(15)9-14/h4-7,14H,3,8-9H2,1-2H3
InChIKeyQPNVLUCXGFRSAA-UHFFFAOYSA-N
XLogP1.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 60630863
N-[(4-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 82132454
N-[(4-ethylphenyl)methyl]-N-methylcarbamoyl bromide
CID 115193695
3-hydroxy-N-methyl-N-[(4-propylphenyl)methyl]propanamide
CID 115139143
3-(4-cyanophenyl)-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 31947728
N-[(4-ethylphenyl)methyl]-2-(2-methoxyethoxy)-N-methylacetamide
CID 103601799
N-[(4-ethylphenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62735212
3-amino-1-[(4-ethylphenyl)methyl]-1-methylurea
CID 115192722
2-(4-acetamidophenyl)-N-[(4-ethylphenyl)methyl]-N-methylacetamide
CID 32754802
N-[(4-ethylphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630877
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549
3-[4-(difluoromethoxy)phenyl]-N-[(4-ethylphenyl)methyl]-N-methylpropanamide
CID 78848081

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2-hydroxy-N-methylacetamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-hydroxy-N-methylacetamide (CID 82126542) is N-[(4-ethylphenyl)methyl]-2-hydroxy-N-methylacetamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-hydroxy-N-methylacetamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-hydroxy-N-methylacetamide is CCc1ccc(CN(C)C(=O)CO)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-hydroxy-N-methylacetamide?
The InChIKey is QPNVLUCXGFRSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-10-4-6-11(7-5-10)8-13(2)12(15)9-14/h4-7,14H,3,8-9H2,1-2H3.
What are the key properties of N-[(4-ethylphenyl)methyl]-2-hydroxy-N-methylacetamide?
N-[(4-ethylphenyl)methyl]-2-hydroxy-N-methylacetamide has a molecular weight of 207.27 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2-hydroxy-N-methylacetamide is sourced from PubChem (CID 82126542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).