(5S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C17H30N2O3 — CID 97100968

IUPAC(5S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCCOCCC1(CNC(=O)N2CC[C@]3(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)/t17-/m0/s1
InChIKeyVLHCTERHCKVOSR-KRWDZBQOSA-N
MW310.44 g/mol
LogP2.41
Rot. Bonds6

About (5S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

(5S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 97100968) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is (5S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name(5S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID97100968
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name(5S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCCOCCC1(CNC(=O)N2CC[C@]3(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)/t17-/m0/s1
InChIKeyVLHCTERHCKVOSR-KRWDZBQOSA-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

CID 71921011
CID 71921011
CID 99840195
CID 99840195
CID 132282963
CID 132282963
CID 71847454
CID 71847454
CID 71969922
CID 71969922
CID 71971652
CID 71971652
CID 71971655
CID 71971655
CID 71978397
CID 71978397
CID 75378984
CID 75378984
CID 75380915
CID 75380915
CID 97100480
CID 97100480
CID 97100482
CID 97100482

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of (5S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 97100968) is (5S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for (5S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for (5S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is CCOCCC1(CNC(=O)N2CC[C@]3(CCOC3)C2)CCC1.
What is the InChIKey of (5S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is VLHCTERHCKVOSR-KRWDZBQOSA-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)/t17-/m0/s1.
What are the key properties of (5S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
(5S)-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 (5S)-N-[[1-(2-ethoxyethyl)cyclobutyl]methyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 97100968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).