N-(3-ethyl-2-hydroxypentyl)-3-(2-methylphenyl)propanamide

C17H27NO2 — CID 103658237

IUPACN-(3-ethyl-2-hydroxypentyl)-3-(2-methylphenyl)propanamide
SMILESCCC(CC)C(O)CNC(=O)CCc1ccccc1C
InChIInChI=1S/C17H27NO2/c1-4-14(5-2)16(19)12-18-17(20)11-10-15-9-7-6-8-13(15)3/h6-9,14,16,19H,4-5,10-12H2,1-3H3,(H,18,20)
InChIKeyDLVJDSZRNGNZEW-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.84
Rot. Bonds8

About N-(3-ethyl-2-hydroxypentyl)-3-(2-methylphenyl)propanamide

N-(3-ethyl-2-hydroxypentyl)-3-(2-methylphenyl)propanamide (PubChem CID 103658237) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-3-(2-methylphenyl)propanamide
PubChem CID103658237
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-3-(2-methylphenyl)propanamide
SMILESCCC(CC)C(O)CNC(=O)CCc1ccccc1C
InChIInChI=1S/C17H27NO2/c1-4-14(5-2)16(19)12-18-17(20)11-10-15-9-7-6-8-13(15)3/h6-9,14,16,19H,4-5,10-12H2,1-3H3,(H,18,20)
InChIKeyDLVJDSZRNGNZEW-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
CID 63283832
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2-(2-aminophenyl)-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103833107
N-(2-bromo-4,4-dimethylpentyl)-3-(2-methylphenyl)propanamide
CID 107156685
N-(2-amino-2-ethylbutyl)-3-(2-methylphenyl)propanamide;hydrochloride
CID 119643019
N-(2-aminoethyl)-3-(2-methylphenyl)propanamide
CID 62367065
N-(3-ethyl-2-hydroxypentyl)-2,6-dimethylbenzamide
CID 103770620
2-[3-(2-methylphenyl)propanoylamino]ethanethioic S-acid
CID 3036184
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(2-methylphenyl)propanamide
CID 110663371
N-(3,3-difluoro-2-hydroxypropyl)-3-(2-hydroxyphenyl)propanamide
CID 103770257
N-(3-iodopropyl)-3-(2-methylphenyl)propanamide
CID 114504156

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-3-(2-methylphenyl)propanamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-3-(2-methylphenyl)propanamide (CID 103658237) is N-(3-ethyl-2-hydroxypentyl)-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-3-(2-methylphenyl)propanamide is CCC(CC)C(O)CNC(=O)CCc1ccccc1C.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-3-(2-methylphenyl)propanamide?
The InChIKey is DLVJDSZRNGNZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-14(5-2)16(19)12-18-17(20)11-10-15-9-7-6-8-13(15)3/h6-9,14,16,19H,4-5,10-12H2,1-3H3,(H,18,20).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-3-(2-methylphenyl)propanamide?
N-(3-ethyl-2-hydroxypentyl)-3-(2-methylphenyl)propanamide has a molecular weight of 277.41 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 103658237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).