N-(3-ethyl-2-hydroxypentyl)-2-(4-methoxyphenyl)propanamide

C17H27NO3 — CID 111116005

IUPACN-(3-ethyl-2-hydroxypentyl)-2-(4-methoxyphenyl)propanamide
SMILESCCC(CC)C(O)CNC(=O)C(C)c1ccc(OC)cc1
InChIInChI=1S/C17H27NO3/c1-5-13(6-2)16(19)11-18-17(20)12(3)14-7-9-15(21-4)10-8-14/h7-10,12-13,16,19H,5-6,11H2,1-4H3,(H,18,20)
InChIKeyKNOULTSLZAGEIH-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.71
Rot. Bonds8

About N-(3-ethyl-2-hydroxypentyl)-2-(4-methoxyphenyl)propanamide

N-(3-ethyl-2-hydroxypentyl)-2-(4-methoxyphenyl)propanamide (PubChem CID 111116005) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-2-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-2-(4-methoxyphenyl)propanamide
PubChem CID111116005
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-2-(4-methoxyphenyl)propanamide
SMILESCCC(CC)C(O)CNC(=O)C(C)c1ccc(OC)cc1
InChIInChI=1S/C17H27NO3/c1-5-13(6-2)16(19)11-18-17(20)12(3)14-7-9-15(21-4)10-8-14/h7-10,12-13,16,19H,5-6,11H2,1-4H3,(H,18,20)
InChIKeyKNOULTSLZAGEIH-UHFFFAOYSA-N
XLogP2.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-hydroxypropyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 110901591
(2S)-2-(4-methoxyphenyl)-N-[2-(propylamino)ethyl]propanamide
CID 99816117
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(4-methoxyphenyl)propanamide
CID 111108626
N-benzyl-2-(4-methoxyphenyl)propanamide
CID 102432443
2-(4-methoxyphenyl)-N-propan-2-ylpropanamide
CID 154459065
1-(2-hydroxy-3-methylpentyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 111337836
2-bromo-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzamide
CID 111115894
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 42943249
(2S)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 25495550
2-amino-N-(3-ethyl-2-hydroxypentyl)-5-methoxybenzamide
CID 106284093
N-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide
CID 103658335
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 9427304

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-2-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-2-(4-methoxyphenyl)propanamide (CID 111116005) is N-(3-ethyl-2-hydroxypentyl)-2-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-2-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-2-(4-methoxyphenyl)propanamide is CCC(CC)C(O)CNC(=O)C(C)c1ccc(OC)cc1.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-2-(4-methoxyphenyl)propanamide?
The InChIKey is KNOULTSLZAGEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-13(6-2)16(19)11-18-17(20)12(3)14-7-9-15(21-4)10-8-14/h7-10,12-13,16,19H,5-6,11H2,1-4H3,(H,18,20).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-2-(4-methoxyphenyl)propanamide?
N-(3-ethyl-2-hydroxypentyl)-2-(4-methoxyphenyl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-2-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 111116005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).