N-[2-(4-ethoxyphenyl)ethyl]-3-methylbutanamide

C15H23NO2 — CID 110788101

IUPACN-[2-(4-ethoxyphenyl)ethyl]-3-methylbutanamide
SMILESCCOc1ccc(CCNC(=O)CC(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-4-18-14-7-5-13(6-8-14)9-10-16-15(17)11-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,16,17)
InChIKeyAYHAKBAUBSIBQB-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.79
Rot. Bonds7

About N-[2-(4-ethoxyphenyl)ethyl]-3-methylbutanamide

N-[2-(4-ethoxyphenyl)ethyl]-3-methylbutanamide (PubChem CID 110788101) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)ethyl]-3-methylbutanamide
PubChem CID110788101
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[2-(4-ethoxyphenyl)ethyl]-3-methylbutanamide
SMILESCCOc1ccc(CCNC(=O)CC(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-4-18-14-7-5-13(6-8-14)9-10-16-15(17)11-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,16,17)
InChIKeyAYHAKBAUBSIBQB-UHFFFAOYSA-N
XLogP2.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-ethoxyphenyl)ethyl]-3-sulfanylpropanamide
CID 115168009
N-[2-(4-ethoxyphenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 174483925
N-[2-(4-butoxyphenyl)ethyl]-3-methyl-2-(3-methylbutanoylamino)butanamide
CID 55868555
2-[4-[2-(3-ethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529071
N-[2-(4-ethoxyphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 110788126
N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107
N-[3-(4-ethoxyphenyl)propyl]-2-methoxyacetamide
CID 100569556
3-(ethylamino)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 62838416
N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-3-methylbutanamide
CID 112507172
1-[2,6-di(propan-2-yl)phenyl]-3-[2-(4-ethoxyphenyl)ethyl]urea
CID 3697295
2-(4-ethoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 51242371
N-[2-(3,4-dichlorophenyl)ethyl]-3-methylbutanamide
CID 110479562

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-3-methylbutanamide (CID 110788101) is N-[2-(4-ethoxyphenyl)ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)ethyl]-3-methylbutanamide is CCOc1ccc(CCNC(=O)CC(C)C)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)ethyl]-3-methylbutanamide?
The InChIKey is AYHAKBAUBSIBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-18-14-7-5-13(6-8-14)9-10-16-15(17)11-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(4-ethoxyphenyl)ethyl]-3-methylbutanamide?
N-[2-(4-ethoxyphenyl)ethyl]-3-methylbutanamide has a molecular weight of 249.35 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)ethyl]-3-methylbutanamide is sourced from PubChem (CID 110788101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).