(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

(2R)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methylmorpholine-2-carboxamide
CID 97100985
(2S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-methylmorpholine-2-carboxamide
CID 97100984
(2S,5R)-5-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120796417
2-[1-[[[(2R)-oxolane-2-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 104855883
2-[1-[(oxolane-2-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81163593
2-[[1-(2-ethoxyethyl)cyclopentyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977017
N-[[1-(hydroxymethyl)cyclohexyl]methyl]oxane-2-carboxamide
CID 112702852
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119820344
(2S)-N-[(1-hydroxycycloheptyl)methyl]oxolane-2-carboxamide
CID 113342862
(2S,4S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120638797
2-(cyclopropylmethylamino)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]acetamide;hydrochloride
CID 119820320
N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]piperidine-3-carboxamide
CID 119339952

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).