N-ethyl-4-hydroxy-N-[(2-methylphenyl)methyl]pentanamide

C15H23NO2 — CID 79204952

IUPACN-ethyl-4-hydroxy-N-[(2-methylphenyl)methyl]pentanamide
SMILESCCN(Cc1ccccc1C)C(=O)CCC(C)O
InChIInChI=1S/C15H23NO2/c1-4-16(15(18)10-9-13(3)17)11-14-8-6-5-7-12(14)2/h5-8,13,17H,4,9-11H2,1-3H3
InChIKeyHHXNOTNRQBLPJE-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.50
Rot. Bonds6

About N-ethyl-4-hydroxy-N-[(2-methylphenyl)methyl]pentanamide

N-ethyl-4-hydroxy-N-[(2-methylphenyl)methyl]pentanamide (PubChem CID 79204952) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-ethyl-4-hydroxy-N-[(2-methylphenyl)methyl]pentanamide.

Molecular Properties

Compound NameN-ethyl-4-hydroxy-N-[(2-methylphenyl)methyl]pentanamide
PubChem CID79204952
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-ethyl-4-hydroxy-N-[(2-methylphenyl)methyl]pentanamide
SMILESCCN(Cc1ccccc1C)C(=O)CCC(C)O
InChIInChI=1S/C15H23NO2/c1-4-16(15(18)10-9-13(3)17)11-14-8-6-5-7-12(14)2/h5-8,13,17H,4,9-11H2,1-3H3
InChIKeyHHXNOTNRQBLPJE-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[ethyl-[(2-methylphenyl)methyl]amino]-4-oxobutanoic acid
CID 39351791
2-[2-[ethyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]benzoic acid
CID 120690659
2-(tert-butylamino)-N-ethyl-N-[(2-methylphenyl)methyl]acetamide
CID 112727493
4-amino-N-ethyl-3-methoxy-N-[(2-methylphenyl)methyl]butanamide;hydrochloride
CID 120588742
N-ethyl-2-methyl-3-(methylamino)-N-[(2-methylphenyl)methyl]propanamide;hydrochloride
CID 119722155
N,N-diethyl-2-[(2-methylphenyl)methyl-methylsulfonylamino]acetamide
CID 113150541
N-ethyl-2,3-dihydroxy-N'-(2-methylbutyl)-N-[(2-methylphenyl)methyl]butanediamide
CID 143155220
5-amino-N-[(2-cyanophenyl)methyl]-N-ethyl-4-methylpentanamide
CID 82011067
3-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 60938834
N-(3-bromopropyl)-N-ethyl-3-(2-methylphenyl)propanamide
CID 113469201
4-(aminomethyl)-N-ethyl-N-[(2-methylphenyl)methyl]benzamide
CID 43587256
4-[methyl-[(2-methylphenyl)methyl]amino]pentanehydrazide
CID 63585520

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-hydroxy-N-[(2-methylphenyl)methyl]pentanamide?
The IUPAC name of N-ethyl-4-hydroxy-N-[(2-methylphenyl)methyl]pentanamide (CID 79204952) is N-ethyl-4-hydroxy-N-[(2-methylphenyl)methyl]pentanamide.
What is the SMILES notation for N-ethyl-4-hydroxy-N-[(2-methylphenyl)methyl]pentanamide?
The canonical SMILES for N-ethyl-4-hydroxy-N-[(2-methylphenyl)methyl]pentanamide is CCN(Cc1ccccc1C)C(=O)CCC(C)O.
What is the InChIKey of N-ethyl-4-hydroxy-N-[(2-methylphenyl)methyl]pentanamide?
The InChIKey is HHXNOTNRQBLPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-16(15(18)10-9-13(3)17)11-14-8-6-5-7-12(14)2/h5-8,13,17H,4,9-11H2,1-3H3.
What are the key properties of N-ethyl-4-hydroxy-N-[(2-methylphenyl)methyl]pentanamide?
N-ethyl-4-hydroxy-N-[(2-methylphenyl)methyl]pentanamide has a molecular weight of 249.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-hydroxy-N-[(2-methylphenyl)methyl]pentanamide is sourced from PubChem (CID 79204952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).