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

C16H25NO3 — CID 65112662

IUPACN-(2-ethyl-2-hydroxybutyl)-3-(4-methoxyphenyl)propanamide
SMILESCCC(O)(CC)CNC(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C16H25NO3/c1-4-16(19,5-2)12-17-15(18)11-8-13-6-9-14(20-3)10-7-13/h6-7,9-10,19H,4-5,8,11-12H2,1-3H3,(H,17,18)
InChIKeyJADACBXIOGGRSN-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.30
Rot. Bonds8

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

N-(2-ethyl-2-hydroxybutyl)-3-(4-methoxyphenyl)propanamide (PubChem CID 65112662) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-3-(4-methoxyphenyl)propanamide
PubChem CID65112662
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-3-(4-methoxyphenyl)propanamide
SMILESCCC(O)(CC)CNC(=O)CCc1ccc(OC)cc1
InChIInChI=1S/C16H25NO3/c1-4-16(19,5-2)12-17-15(18)11-8-13-6-9-14(20-3)10-7-13/h6-7,9-10,19H,4-5,8,11-12H2,1-3H3,(H,17,18)
InChIKeyJADACBXIOGGRSN-UHFFFAOYSA-N
XLogP2.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)propanamide
CID 103839704
N-(2,3-dimethoxy-2-methylpropyl)-3-(4-methoxyphenyl)propanamide
CID 122243919
N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylsulfonylphenyl)propanamide
CID 100700105
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
N-(2-ethyl-2-hydroxybutyl)-4-(4-methylphenyl)butanamide
CID 111463301
N-[(E)-4-chlorobut-2-enyl]-3-(4-methoxyphenyl)propanamide
CID 81429759
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590
N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide
CID 43133571
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
N-(2-amino-2-sulfanylideneethyl)-3-(4-methoxyphenyl)propanamide
CID 61127665
3-(4-methoxyphenyl)-N-[(4-methylsulfonylphenyl)methyl]propanamide
CID 110784513

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-(4-methoxyphenyl)propanamide (CID 65112662) is N-(2-ethyl-2-hydroxybutyl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-3-(4-methoxyphenyl)propanamide is CCC(O)(CC)CNC(=O)CCc1ccc(OC)cc1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is JADACBXIOGGRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-16(19,5-2)12-17-15(18)11-8-13-6-9-14(20-3)10-7-13/h6-7,9-10,19H,4-5,8,11-12H2,1-3H3,(H,17,18).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-3-(4-methoxyphenyl)propanamide?
N-(2-ethyl-2-hydroxybutyl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 279.38 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 65112662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).