(2S)-N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-phenylacetamide

C15H21NO2 — CID 167798849

IUPAC(2S)-N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-phenylacetamide
SMILESCCC1(CNC(=O)[C@@H](O)c2ccccc2)CCC1
InChIInChI=1S/C15H21NO2/c1-2-15(9-6-10-15)11-16-14(18)13(17)12-7-4-3-5-8-12/h3-5,7-8,13,17H,2,6,9-11H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyLAMMKHOXHGIVOO-ZDUSSCGKSA-N
MW247.34 g/mol
LogP2.42
Rot. Bonds5

About (2S)-N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-phenylacetamide

(2S)-N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-phenylacetamide (PubChem CID 167798849) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2S)-N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-phenylacetamide
PubChem CID167798849
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2S)-N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-phenylacetamide
SMILESCCC1(CNC(=O)[C@@H](O)c2ccccc2)CCC1
InChIInChI=1S/C15H21NO2/c1-2-15(9-6-10-15)11-16-14(18)13(17)12-7-4-3-5-8-12/h3-5,7-8,13,17H,2,6,9-11H2,1H3,(H,16,18)/t13-/m0/s1
InChIKeyLAMMKHOXHGIVOO-ZDUSSCGKSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1-ethylcyclopentyl)methyl]-2-phenylpropanamide
CID 103812586
1-[(1-ethylcyclobutyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111969619
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,2-diphenylacetamide
CID 110416741
N-[(1-benzylcyclopentyl)methyl]-2-hydroxypropanamide
CID 110010083
N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-(1-hydroxycyclobutyl)acetamide
CID 138013303
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-phenylbutanamide
CID 103970144
1-[(1-ethylcyclopropyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111833776
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-hydroxy-2-phenylacetamide
CID 111520491
3-amino-2-methyl-3-phenyl-N-[(1-propylcyclobutyl)methyl]propanamide;hydrochloride
CID 119821711
N-butyl-2-hydroxy-2-phenylacetamide
CID 15353717
2-[2-[(1-ethylcyclobutyl)methylcarbamoyl]pyrrol-1-yl]acetic acid
CID 114109249
1-[(2-hydroxy-2-phenylacetyl)amino]-N-propylcyclohexane-1-carboxamide
CID 111432652

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of (2S)-N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-phenylacetamide (CID 167798849) is (2S)-N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2S)-N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for (2S)-N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-phenylacetamide is CCC1(CNC(=O)[C@@H](O)c2ccccc2)CCC1.
What is the InChIKey of (2S)-N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-phenylacetamide?
The InChIKey is LAMMKHOXHGIVOO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-15(9-6-10-15)11-16-14(18)13(17)12-7-4-3-5-8-12/h3-5,7-8,13,17H,2,6,9-11H2,1H3,(H,16,18)/t13-/m0/s1.
What are the key properties of (2S)-N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-phenylacetamide?
(2S)-N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-phenylacetamide has a molecular weight of 247.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 167798849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).