3-(2-ethoxyphenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide

C15H21NO3 — CID 115877597

IUPAC3-(2-ethoxyphenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
SMILESCCOc1ccccc1CCC(=O)NC1(CO)CC1
InChIInChI=1S/C15H21NO3/c1-2-19-13-6-4-3-5-12(13)7-8-14(18)16-15(11-17)9-10-15/h3-6,17H,2,7-11H2,1H3,(H,16,18)
InChIKeyYJFMMPOJVZVBSB-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.66
Rot. Bonds7

About 3-(2-ethoxyphenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide

3-(2-ethoxyphenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide (PubChem CID 115877597) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
PubChem CID115877597
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-(2-ethoxyphenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
SMILESCCOc1ccccc1CCC(=O)NC1(CO)CC1
InChIInChI=1S/C15H21NO3/c1-2-19-13-6-4-3-5-12(13)7-8-14(18)16-15(11-17)9-10-15/h3-6,17H,2,7-11H2,1H3,(H,16,18)
InChIKeyYJFMMPOJVZVBSB-UHFFFAOYSA-N
XLogP1.66
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3-(2-ethoxyphenyl)propanoylamino]oxan-4-yl]acetic acid
CID 75429127
3-[3-(2-ethoxyphenyl)propanoylamino]propanoic acid
CID 43170647
2-[3-(2-ethoxyphenyl)propanoylamino]-3-hydroxypropanoic acid
CID 43171627
N-[1-(hydroxymethyl)cyclobutyl]-3-(2-hydroxyphenyl)propanamide
CID 113344785
3-(2-ethoxyphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43393251
N-(benzenesulfonyl)-3-(2-ethoxyphenyl)propanamide
CID 87011276
methyl 2-[3-(2-ethoxyphenyl)propanoylamino]acetate
CID 43406380
2-cyclopropyl-2-[3-(2-ethoxyphenyl)propanoylamino]acetic acid
CID 62696875
3-(2-ethoxyphenyl)-N-prop-2-enylpropanamide
CID 60659508
3-(2-ethoxyphenyl)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83029751
3-(2-ethoxyphenyl)-N-pentylpropanamide
CID 78805290
3-(2-ethoxyphenyl)-N'-[2-(4-fluorophenyl)acetyl]propanehydrazide
CID 31725859

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide?
The IUPAC name of 3-(2-ethoxyphenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide (CID 115877597) is 3-(2-ethoxyphenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide.
What is the SMILES notation for 3-(2-ethoxyphenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide?
The canonical SMILES for 3-(2-ethoxyphenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide is CCOc1ccccc1CCC(=O)NC1(CO)CC1.
What is the InChIKey of 3-(2-ethoxyphenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide?
The InChIKey is YJFMMPOJVZVBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-19-13-6-4-3-5-12(13)7-8-14(18)16-15(11-17)9-10-15/h3-6,17H,2,7-11H2,1H3,(H,16,18).
What are the key properties of 3-(2-ethoxyphenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide?
3-(2-ethoxyphenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide has a molecular weight of 263.34 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide is sourced from PubChem (CID 115877597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).