N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide

C15H23NO2 — CID 115772082

IUPACN-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide
SMILESCCN(CCCO)C(=O)CCCc1ccccc1
InChIInChI=1S/C15H23NO2/c1-2-16(12-7-13-17)15(18)11-6-10-14-8-4-3-5-9-14/h3-5,8-9,17H,2,6-7,10-13H2,1H3
InChIKeyMSVIFWISFJFFFP-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.24
Rot. Bonds8

About N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide

N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide (PubChem CID 115772082) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide
PubChem CID115772082
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide
SMILESCCN(CCCO)C(=O)CCCc1ccccc1
InChIInChI=1S/C15H23NO2/c1-2-16(12-7-13-17)15(18)11-6-10-14-8-4-3-5-9-14/h3-5,8-9,17H,2,6-7,10-13H2,1H3
InChIKeyMSVIFWISFJFFFP-UHFFFAOYSA-N
XLogP2.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[ethyl(2-phenylethyl)amino]-5-oxopentanoic acid
CID 54875421
4-chloro-N-ethyl-N-(2-phenylethyl)butanamide
CID 55205589
N-dodecyl-N-ethyl-3-phenylpropanamide
CID 91693976
N-benzyl-N-butyl-4-hydroxybutanamide
CID 139706995
N-(2-aminoethyl)-N-butyl-4-phenylbutanamide
CID 63754072
N-ethyl-N-(3-hydroxypropyl)-2-phenylsulfanylacetamide
CID 113339399
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
3-(2-ethoxyphenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771921
N-(2-bromoethyl)-4-phenyl-N-propylbutanamide
CID 80660803
N-benzyl-N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79200837
2-bromo-N-ethyl-N-(2-phenylethyl)acetamide
CID 15342542
N-(2-hydroxyethyl)-N-(2-phenylethyl)butanamide
CID 111122043

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide (CID 115772082) is N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide is CCN(CCCO)C(=O)CCCc1ccccc1.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide?
The InChIKey is MSVIFWISFJFFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-16(12-7-13-17)15(18)11-6-10-14-8-4-3-5-9-14/h3-5,8-9,17H,2,6-7,10-13H2,1H3.
What are the key properties of N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide?
N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide has a molecular weight of 249.35 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxypropyl)-4-phenylbutanamide is sourced from PubChem (CID 115772082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).