N-[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-2-pyridin-4-ylacetamide

C16H24N2O3 — CID 99826458

IUPACN-[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-2-pyridin-4-ylacetamide
SMILESCCO[C@H]1C[C@@](CO)(NC(=O)Cc2ccncc2)C1(C)C
InChIInChI=1S/C16H24N2O3/c1-4-21-13-10-16(11-19,15(13,2)3)18-14(20)9-12-5-7-17-8-6-12/h5-8,13,19H,4,9-11H2,1-3H3,(H,18,20)/t13-,16-/m0/s1
InChIKeySJPUSZLAILOBJY-BBRMVZONSA-N
MW292.38 g/mol
LogP1.31
Rot. Bonds6

About N-[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-2-pyridin-4-ylacetamide

N-[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-2-pyridin-4-ylacetamide (PubChem CID 99826458) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-2-pyridin-4-ylacetamide
PubChem CID99826458
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-2-pyridin-4-ylacetamide
SMILESCCO[C@H]1C[C@@](CO)(NC(=O)Cc2ccncc2)C1(C)C
InChIInChI=1S/C16H24N2O3/c1-4-21-13-10-16(11-19,15(13,2)3)18-14(20)9-12-5-7-17-8-6-12/h5-8,13,19H,4,9-11H2,1-3H3,(H,18,20)/t13-,16-/m0/s1
InChIKeySJPUSZLAILOBJY-BBRMVZONSA-N
XLogP1.31
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]acetamide
CID 99826697
N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]pyridine-2-carboxamide
CID 99826637
3-ethoxy-1-[[2-(4-hydroxyphenyl)acetyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699950
N-[(1S,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]cyclopropanecarboxamide
CID 99826650
N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 119034483
N-[(1R,3R)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methylthiophene-3-carboxamide
CID 99826689
N-[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 119034487
N-[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-2,5-difluorobenzamide
CID 99826642
3-ethoxy-2,2-dimethyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclobutane-1-carboxylic acid
CID 120699633
3-ethoxy-1-[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699573
4-[[3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122024245
N-[[(1R,3R)-3-ethoxy-1-hydroxy-2,2-dimethylcyclobutyl]methyl]pyridine-4-carboxamide
CID 99834377

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-2-pyridin-4-ylacetamide (CID 99826458) is N-[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-2-pyridin-4-ylacetamide is CCO[C@H]1C[C@@](CO)(NC(=O)Cc2ccncc2)C1(C)C.
What is the InChIKey of N-[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-2-pyridin-4-ylacetamide?
The InChIKey is SJPUSZLAILOBJY-BBRMVZONSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-21-13-10-16(11-19,15(13,2)3)18-14(20)9-12-5-7-17-8-6-12/h5-8,13,19H,4,9-11H2,1-3H3,(H,18,20)/t13-,16-/m0/s1.
What are the key properties of N-[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-2-pyridin-4-ylacetamide?
N-[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-2-pyridin-4-ylacetamide has a molecular weight of 292.38 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-ethoxy-1-(hydroxymethyl)-2,2-dimethylcyclobutyl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 99826458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).