N-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]propanamide

C13H19NO2 — CID 82114517

IUPACN-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]propanamide
SMILESCCC(=O)NCC(O)c1cc(C)ccc1C
InChIInChI=1S/C13H19NO2/c1-4-13(16)14-8-12(15)11-7-9(2)5-6-10(11)3/h5-7,12,15H,4,8H2,1-3H3,(H,14,16)
InChIKeyNQZCZCVMSSFOOL-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.86
Rot. Bonds4

About N-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]propanamide

N-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]propanamide (PubChem CID 82114517) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]propanamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]propanamide
PubChem CID82114517
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]propanamide
SMILESCCC(=O)NCC(O)c1cc(C)ccc1C
InChIInChI=1S/C13H19NO2/c1-4-13(16)14-8-12(15)11-7-9(2)5-6-10(11)3/h5-7,12,15H,4,8H2,1-3H3,(H,14,16)
InChIKeyNQZCZCVMSSFOOL-UHFFFAOYSA-N
XLogP1.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(tert-butylamino)-1-(2,5-dimethylphenyl)ethanol
CID 62774526
4-(2,5-dimethylphenyl)-4-hydroxybutanamide
CID 82112992
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 111119904
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide
CID 119784439
tert-butyl N-[3-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170831671
1-(2,5-dimethylphenyl)-5-methylhexan-1-ol
CID 83158845
2-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]isoindole-1,3-dione
CID 71494022
methyl 2-[(2,5-dimethylphenyl)-hydroxymethyl]butanoate
CID 62395439
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide
CID 111119754
2-(butan-2-ylamino)-2-(2,5-dimethylphenyl)acetic acid
CID 54977951
3-chloro-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 17327223
1-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea
CID 111452505

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]propanamide?
The IUPAC name of N-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]propanamide (CID 82114517) is N-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]propanamide.
What is the SMILES notation for N-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]propanamide?
The canonical SMILES for N-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]propanamide is CCC(=O)NCC(O)c1cc(C)ccc1C.
What is the InChIKey of N-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]propanamide?
The InChIKey is NQZCZCVMSSFOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-13(16)14-8-12(15)11-7-9(2)5-6-10(11)3/h5-7,12,15H,4,8H2,1-3H3,(H,14,16).
What are the key properties of N-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]propanamide?
N-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]propanamide has a molecular weight of 221.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenyl)-2-hydroxyethyl]propanamide is sourced from PubChem (CID 82114517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).