N-[2-(4-ethylphenyl)ethyl]-2-hydroxypropanamide

C13H19NO2 — CID 115140882

IUPACN-[2-(4-ethylphenyl)ethyl]-2-hydroxypropanamide
SMILESCCc1ccc(CCNC(=O)C(C)O)cc1
InChIInChI=1S/C13H19NO2/c1-3-11-4-6-12(7-5-11)8-9-14-13(16)10(2)15/h4-7,10,15H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyLXRFAYUNXIELHX-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.29
Rot. Bonds5

About N-[2-(4-ethylphenyl)ethyl]-2-hydroxypropanamide

N-[2-(4-ethylphenyl)ethyl]-2-hydroxypropanamide (PubChem CID 115140882) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)ethyl]-2-hydroxypropanamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)ethyl]-2-hydroxypropanamide
PubChem CID115140882
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[2-(4-ethylphenyl)ethyl]-2-hydroxypropanamide
SMILESCCc1ccc(CCNC(=O)C(C)O)cc1
InChIInChI=1S/C13H19NO2/c1-3-11-4-6-12(7-5-11)8-9-14-13(16)10(2)15/h4-7,10,15H,3,8-9H2,1-2H3,(H,14,16)
InChIKeyLXRFAYUNXIELHX-UHFFFAOYSA-N
XLogP1.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
(2S)-2-amino-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 94689619
N-[2-(4-ethylphenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119760944
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178
2-(aminomethyl)-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 115187566
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-hydroxypropanamide
CID 69294862
2-cyano-N-[2-(4-ethylphenyl)ethyl]-3-methylbutanamide
CID 115188642
N-[2-(4-ethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158289
2-amino-N-[2-(4-ethylphenyl)ethyl]acetamide
CID 94681068
butan-2-yl N-[(2S)-1-[2-(4-ethylphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 22856215
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dimethylbutanamide
CID 20759703
4-[2-(2-methylbutanoylamino)ethyl]benzoic acid
CID 43665707

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)ethyl]-2-hydroxypropanamide?
The IUPAC name of N-[2-(4-ethylphenyl)ethyl]-2-hydroxypropanamide (CID 115140882) is N-[2-(4-ethylphenyl)ethyl]-2-hydroxypropanamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)ethyl]-2-hydroxypropanamide?
The canonical SMILES for N-[2-(4-ethylphenyl)ethyl]-2-hydroxypropanamide is CCc1ccc(CCNC(=O)C(C)O)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)ethyl]-2-hydroxypropanamide?
The InChIKey is LXRFAYUNXIELHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-11-4-6-12(7-5-11)8-9-14-13(16)10(2)15/h4-7,10,15H,3,8-9H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(4-ethylphenyl)ethyl]-2-hydroxypropanamide?
N-[2-(4-ethylphenyl)ethyl]-2-hydroxypropanamide has a molecular weight of 221.30 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)ethyl]-2-hydroxypropanamide is sourced from PubChem (CID 115140882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).