N-[(1S)-1-[(1R)-2,2-dimethylcyclobutyl]-2-oxopropyl]-N-ethylacetamide

C13H23NO2 — CID 143104581

IUPACN-[(1S)-1-[(1R)-2,2-dimethylcyclobutyl]-2-oxopropyl]-N-ethylacetamide
SMILESCCN(C(C)=O)[C@H](C(C)=O)[C@@H]1CCC1(C)C
InChIInChI=1S/C13H23NO2/c1-6-14(10(3)16)12(9(2)15)11-7-8-13(11,4)5/h11-12H,6-8H2,1-5H3/t11-,12+/m0/s1
InChIKeyAMRVKOLUUMSBSS-NWDGAFQWSA-N
MW225.33 g/mol
LogP2.25
Rot. Bonds4

About N-[(1S)-1-[(1R)-2,2-dimethylcyclobutyl]-2-oxopropyl]-N-ethylacetamide

N-[(1S)-1-[(1R)-2,2-dimethylcyclobutyl]-2-oxopropyl]-N-ethylacetamide (PubChem CID 143104581) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[(1S)-1-[(1R)-2,2-dimethylcyclobutyl]-2-oxopropyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-[(1R)-2,2-dimethylcyclobutyl]-2-oxopropyl]-N-ethylacetamide
PubChem CID143104581
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-[(1S)-1-[(1R)-2,2-dimethylcyclobutyl]-2-oxopropyl]-N-ethylacetamide
SMILESCCN(C(C)=O)[C@H](C(C)=O)[C@@H]1CCC1(C)C
InChIInChI=1S/C13H23NO2/c1-6-14(10(3)16)12(9(2)15)11-7-8-13(11,4)5/h11-12H,6-8H2,1-5H3/t11-,12+/m0/s1
InChIKeyAMRVKOLUUMSBSS-NWDGAFQWSA-N
XLogP2.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(1R)-2,2-dimethylcyclobutyl]-2-oxopropyl]-N-ethylacetamide?
The IUPAC name of N-[(1S)-1-[(1R)-2,2-dimethylcyclobutyl]-2-oxopropyl]-N-ethylacetamide (CID 143104581) is N-[(1S)-1-[(1R)-2,2-dimethylcyclobutyl]-2-oxopropyl]-N-ethylacetamide.
What is the SMILES notation for N-[(1S)-1-[(1R)-2,2-dimethylcyclobutyl]-2-oxopropyl]-N-ethylacetamide?
The canonical SMILES for N-[(1S)-1-[(1R)-2,2-dimethylcyclobutyl]-2-oxopropyl]-N-ethylacetamide is CCN(C(C)=O)[C@H](C(C)=O)[C@@H]1CCC1(C)C.
What is the InChIKey of N-[(1S)-1-[(1R)-2,2-dimethylcyclobutyl]-2-oxopropyl]-N-ethylacetamide?
The InChIKey is AMRVKOLUUMSBSS-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H23NO2/c1-6-14(10(3)16)12(9(2)15)11-7-8-13(11,4)5/h11-12H,6-8H2,1-5H3/t11-,12+/m0/s1.
What are the key properties of N-[(1S)-1-[(1R)-2,2-dimethylcyclobutyl]-2-oxopropyl]-N-ethylacetamide?
N-[(1S)-1-[(1R)-2,2-dimethylcyclobutyl]-2-oxopropyl]-N-ethylacetamide has a molecular weight of 225.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(1R)-2,2-dimethylcyclobutyl]-2-oxopropyl]-N-ethylacetamide is sourced from PubChem (CID 143104581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).