3-(4-ethoxyphenyl)-4-methylpentanamide

C14H21NO2 — CID 112508295

IUPAC3-(4-ethoxyphenyl)-4-methylpentanamide
SMILESCCOc1ccc(C(CC(N)=O)C(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-4-17-12-7-5-11(6-8-12)13(10(2)3)9-14(15)16/h5-8,10,13H,4,9H2,1-3H3,(H2,15,16)
InChIKeySQICNVSUTZRARI-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.70
Rot. Bonds6

About 3-(4-ethoxyphenyl)-4-methylpentanamide

3-(4-ethoxyphenyl)-4-methylpentanamide (PubChem CID 112508295) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-4-methylpentanamide
PubChem CID112508295
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(4-ethoxyphenyl)-4-methylpentanamide
SMILESCCOc1ccc(C(CC(N)=O)C(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-4-17-12-7-5-11(6-8-12)13(10(2)3)9-14(15)16/h5-8,10,13H,4,9H2,1-3H3,(H2,15,16)
InChIKeySQICNVSUTZRARI-UHFFFAOYSA-N
XLogP2.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethoxyphenyl)-3-hydroxybutanamide
CID 152610342
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148
methyl 2-(4-ethoxyphenyl)propanoate
CID 62394502
2-[1-(4-ethoxyphenyl)ethylamino]propanamide
CID 43402762
2-[2-amino-2-(4-ethoxyphenyl)ethoxy]acetamide
CID 61327412
2-(4-ethoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 54891036
methyl 2-(4-ethoxyphenyl)-2-hydroxyacetate
CID 62214123
(2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride
CID 162344172
4-amino-1-(4-ethoxyphenyl)-3-methylbutan-1-one
CID 116596464
amino-(4-ethoxyphenyl)methanol
CID 116939610
4-(4-ethoxyphenyl)benzamide
CID 163572533
benzamide;1,4-diethoxybenzene
CID 162120306

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-4-methylpentanamide?
The IUPAC name of 3-(4-ethoxyphenyl)-4-methylpentanamide (CID 112508295) is 3-(4-ethoxyphenyl)-4-methylpentanamide.
What is the SMILES notation for 3-(4-ethoxyphenyl)-4-methylpentanamide?
The canonical SMILES for 3-(4-ethoxyphenyl)-4-methylpentanamide is CCOc1ccc(C(CC(N)=O)C(C)C)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-4-methylpentanamide?
The InChIKey is SQICNVSUTZRARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-4-17-12-7-5-11(6-8-12)13(10(2)3)9-14(15)16/h5-8,10,13H,4,9H2,1-3H3,(H2,15,16).
What are the key properties of 3-(4-ethoxyphenyl)-4-methylpentanamide?
3-(4-ethoxyphenyl)-4-methylpentanamide has a molecular weight of 235.33 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-4-methylpentanamide is sourced from PubChem (CID 112508295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).