(2S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide

C14H25NO3 — CID 97100966

IUPAC(2S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide
SMILESCCOCCC1(CNC(=O)[C@@H]2CCCO2)CCC1
InChIInChI=1S/C14H25NO3/c1-2-17-10-8-14(6-4-7-14)11-15-13(16)12-5-3-9-18-12/h12H,2-11H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyMDPHMEODCRCSCE-LBPRGKRZSA-N
MW255.36 g/mol
LogP1.88
Rot. Bonds7

About (2S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide

(2S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide (PubChem CID 97100966) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide
PubChem CID97100966
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(2S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide
SMILESCCOCCC1(CNC(=O)[C@@H]2CCCO2)CCC1
InChIInChI=1S/C14H25NO3/c1-2-17-10-8-14(6-4-7-14)11-15-13(16)12-5-3-9-18-12/h12H,2-11H2,1H3,(H,15,16)/t12-/m0/s1
InChIKeyMDPHMEODCRCSCE-LBPRGKRZSA-N
XLogP1.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5,5-dimethyl-N-spiro[3.4]octan-3-yloxolane-2-carboxamide
CID 136537419
N-(2-fluoroethyl)-3,5-dimethyloxolane-2-carboxamide
CID 131153886
N-[(4-methyloxan-4-yl)methyl]oxolane-2-carboxamide
CID 110875698
N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 21060492
N-(2-methylbutyl)oxolane-2-carboxamide
CID 21571799
(2R)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide
CID 58532990
(2S)-N-[(2S)-4,4-dimethyl-3-oxopentan-2-yl]oxolane-2-carboxamide
CID 58533013
2-(cyclopentylmethoxy)-N-ethyl-4,4-dimethylpentanamide
CID 70910469
N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide
CID 91459462
(2R)-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide
CID 127662564
(2S)-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide
CID 127690765
(2R)-N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 130748456

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide (CID 97100966) is (2S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide is CCOCCC1(CNC(=O)[C@@H]2CCCO2)CCC1.
What is the InChIKey of (2S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide?
The InChIKey is MDPHMEODCRCSCE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-17-10-8-14(6-4-7-14)11-15-13(16)12-5-3-9-18-12/h12H,2-11H2,1H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide?
(2S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 97100966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).