N-(2-ethoxyphenyl)-3-methylbutanamide

C13H19NO2 — CID 849236

IUPACN-(2-ethoxyphenyl)-3-methylbutanamide
SMILESCCOc1ccccc1NC(=O)CC(C)C
InChIInChI=1S/C13H19NO2/c1-4-16-12-8-6-5-7-11(12)14-13(15)9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,14,15)
InChIKeyAIHJVWLIHYGNNW-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.07
Rot. Bonds5

About N-(2-ethoxyphenyl)-3-methylbutanamide

N-(2-ethoxyphenyl)-3-methylbutanamide (PubChem CID 849236) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-methylbutanamide
PubChem CID849236
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(2-ethoxyphenyl)-3-methylbutanamide
SMILESCCOc1ccccc1NC(=O)CC(C)C
InChIInChI=1S/C13H19NO2/c1-4-16-12-8-6-5-7-11(12)14-13(15)9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,14,15)
InChIKeyAIHJVWLIHYGNNW-UHFFFAOYSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-butoxyphenyl)-3-methylbutanamide
CID 19204184
CID 174193763
CID 174193763
N-(2-ethoxyphenyl)-2-(3-methylbutylamino)acetamide
CID 109005835
methyl 3-(2-ethoxyanilino)-3-oxopropanoate
CID 28637956
[2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898297
N'-(2-ethoxyphenyl)-N-(2-methylphenyl)propanediamide
CID 108952937
3-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263917
N-(2-ethoxyphenyl)-2-(propan-2-ylcarbamoylamino)acetamide
CID 112998813
(2S)-2-amino-N-(2-ethoxyphenyl)propanamide;hydrochloride
CID 119263916
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064
N-(2-ethoxyphenyl)-2-(2-hydroxyphenoxy)acetamide
CID 78768376
N-(2-ethoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 723516

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-methylbutanamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-methylbutanamide (CID 849236) is N-(2-ethoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-methylbutanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-methylbutanamide is CCOc1ccccc1NC(=O)CC(C)C.
What is the InChIKey of N-(2-ethoxyphenyl)-3-methylbutanamide?
The InChIKey is AIHJVWLIHYGNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-16-12-8-6-5-7-11(12)14-13(15)9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,14,15).
What are the key properties of N-(2-ethoxyphenyl)-3-methylbutanamide?
N-(2-ethoxyphenyl)-3-methylbutanamide has a molecular weight of 221.30 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 849236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).