N-(4-ethoxy-2-methylphenyl)-4-hydroxypentanamide

C14H21NO3 — CID 79205094

IUPACN-(4-ethoxy-2-methylphenyl)-4-hydroxypentanamide
SMILESCCOc1ccc(NC(=O)CCC(C)O)c(C)c1
InChIInChI=1S/C14H21NO3/c1-4-18-12-6-7-13(10(2)9-12)15-14(17)8-5-11(3)16/h6-7,9,11,16H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyZHSDOBFKLRRDJM-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.49
Rot. Bonds6

About N-(4-ethoxy-2-methylphenyl)-4-hydroxypentanamide

N-(4-ethoxy-2-methylphenyl)-4-hydroxypentanamide (PubChem CID 79205094) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(4-ethoxy-2-methylphenyl)-4-hydroxypentanamide.

Molecular Properties

Compound NameN-(4-ethoxy-2-methylphenyl)-4-hydroxypentanamide
PubChem CID79205094
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(4-ethoxy-2-methylphenyl)-4-hydroxypentanamide
SMILESCCOc1ccc(NC(=O)CCC(C)O)c(C)c1
InChIInChI=1S/C14H21NO3/c1-4-18-12-6-7-13(10(2)9-12)15-14(17)8-5-11(3)16/h6-7,9,11,16H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyZHSDOBFKLRRDJM-UHFFFAOYSA-N
XLogP2.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60933888
4-amino-N-(2-methyl-4-propoxyphenyl)pentanamide
CID 120560885
3-(tert-butylamino)-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60928405
2-bromo-N-(4-ethoxy-2-methylphenyl)propanamide
CID 107904117
2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60933889
N-(4-ethoxy-2-methylphenyl)-2-methoxypropanamide
CID 47312187
4-amino-N-[4-(2-methoxyethoxy)-2-methylphenyl]pentanamide;hydrochloride
CID 120560339
2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride
CID 119298449
3-amino-N-[2-methyl-4-(2-methylpropoxy)phenyl]propanamide
CID 39353469
2-[4-(butanoylamino)-3-methylphenoxy]acetic acid
CID 119231512
4-(4-hydroxypentanoylamino)-N,3-dimethylbenzamide
CID 79204777
4-hydroxy-N-(2-methylphenyl)pentanamide
CID 79017195

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-methylphenyl)-4-hydroxypentanamide?
The IUPAC name of N-(4-ethoxy-2-methylphenyl)-4-hydroxypentanamide (CID 79205094) is N-(4-ethoxy-2-methylphenyl)-4-hydroxypentanamide.
What is the SMILES notation for N-(4-ethoxy-2-methylphenyl)-4-hydroxypentanamide?
The canonical SMILES for N-(4-ethoxy-2-methylphenyl)-4-hydroxypentanamide is CCOc1ccc(NC(=O)CCC(C)O)c(C)c1.
What is the InChIKey of N-(4-ethoxy-2-methylphenyl)-4-hydroxypentanamide?
The InChIKey is ZHSDOBFKLRRDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-18-12-6-7-13(10(2)9-12)15-14(17)8-5-11(3)16/h6-7,9,11,16H,4-5,8H2,1-3H3,(H,15,17).
What are the key properties of N-(4-ethoxy-2-methylphenyl)-4-hydroxypentanamide?
N-(4-ethoxy-2-methylphenyl)-4-hydroxypentanamide has a molecular weight of 251.33 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-methylphenyl)-4-hydroxypentanamide is sourced from PubChem (CID 79205094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).