N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C17H30N2O3 — CID 71847454

IUPACN-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCCOCCC1(CNC(=O)N2CCC3(CCOC3)C2)CCC1
InChIInChI=1S/C17H30N2O3/c1-2-21-10-7-16(4-3-5-16)12-18-15(20)19-9-6-17(13-19)8-11-22-14-17/h2-14H2,1H3,(H,18,20)
InChIKeyVLHCTERHCKVOSR-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.41
Rot. Bonds6

About N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 71847454) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID71847454
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC NameN-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCCOCCC1(CNC(=O)N2CCC3(CCOC3)C2)CCC1
InChIInChI=1S/C17H30N2O3/c1-2-21-10-7-16(4-3-5-16)12-18-15(20)19-9-6-17(13-19)8-11-22-14-17/h2-14H2,1H3,(H,18,20)
InChIKeyVLHCTERHCKVOSR-UHFFFAOYSA-N
XLogP2.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.41
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

N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 71921011
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2,2-dimethylpyrrolidine-1-carboxamide
CID 99840195
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 132282963
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]pyrrolidine-1-carboxamide
CID 71969922
N-(3-methylcyclobutyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 71971652
N-[(1-ethylcyclobutyl)methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 71971655
N-[(2-tert-butyloxolan-3-yl)methyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide
CID 71978397
N-(1-cyclopropylbutan-2-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 75378984
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 75380915
(5S)-N-[(1S,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97100480
(5S)-N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97100482
(5S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97100968

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 71847454) is N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is CCOCCC1(CNC(=O)N2CCC3(CCOC3)C2)CCC1.
What is the InChIKey of N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is VLHCTERHCKVOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-2-21-10-7-16(4-3-5-16)12-18-15(20)19-9-6-17(13-19)8-11-22-14-17/h2-14H2,1H3,(H,18,20).
What are the key properties of N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 71847454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).