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N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-3-[(2R)-oxolan-2-yl]propanamide

C15H27NO3 — CID 129423695

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-3-[(2R)-oxolan-2-yl]propanamide
SMILESCCO[C@@H]1C[C@H](NC(=O)CC[C@H]2CCCO2)C1(C)C
InChIInChI=1S/C15H27NO3/c1-4-18-13-10-12(15(13,2)3)16-14(17)8-7-11-6-5-9-19-11/h11-13H,4-10H2,1-3H3,(H,16,17)/t11-,12+,13-/m1/s1
InChIKeyOWQLNAODNPPRTG-FRRDWIJNSA-N
MW269.38 g/mol
LogP2.27
Rot. Bonds6

About N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-3-[(2R)-oxolan-2-yl]propanamide

N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-3-[(2R)-oxolan-2-yl]propanamide (PubChem CID 129423695) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-3-[(2R)-oxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-3-[(2R)-oxolan-2-yl]propanamide
PubChem CID129423695
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC NameN-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-3-[(2R)-oxolan-2-yl]propanamide
SMILESCCO[C@@H]1C[C@H](NC(=O)CC[C@H]2CCCO2)C1(C)C
InChIInChI=1S/C15H27NO3/c1-4-18-13-10-12(15(13,2)3)16-14(17)8-7-11-6-5-9-19-11/h11-13H,4-10H2,1-3H3,(H,16,17)/t11-,12+,13-/m1/s1
InChIKeyOWQLNAODNPPRTG-FRRDWIJNSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-3-[(2R)-oxolan-2-yl]propanamide?
The IUPAC name of N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-3-[(2R)-oxolan-2-yl]propanamide (CID 129423695) is N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-3-[(2R)-oxolan-2-yl]propanamide.
What is the SMILES notation for N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-3-[(2R)-oxolan-2-yl]propanamide?
The canonical SMILES for N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-3-[(2R)-oxolan-2-yl]propanamide is CCO[C@@H]1C[C@H](NC(=O)CC[C@H]2CCCO2)C1(C)C.
What is the InChIKey of N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-3-[(2R)-oxolan-2-yl]propanamide?
The InChIKey is OWQLNAODNPPRTG-FRRDWIJNSA-N. The full InChI is InChI=1S/C15H27NO3/c1-4-18-13-10-12(15(13,2)3)16-14(17)8-7-11-6-5-9-19-11/h11-13H,4-10H2,1-3H3,(H,16,17)/t11-,12+,13-/m1/s1.
What are the key properties of N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-3-[(2R)-oxolan-2-yl]propanamide?
N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-3-[(2R)-oxolan-2-yl]propanamide has a molecular weight of 269.38 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-3-[(2R)-oxolan-2-yl]propanamide is sourced from PubChem (CID 129423695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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