N-[(4-ethylphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

C17H24N2O — CID 103872581

IUPACN-[(4-ethylphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCCc1ccc(CNC(=O)C2CC23CCNCC3)cc1
InChIInChI=1S/C17H24N2O/c1-2-13-3-5-14(6-4-13)12-19-16(20)15-11-17(15)7-9-18-10-8-17/h3-6,15,18H,2,7-12H2,1H3,(H,19,20)
InChIKeyBZTNCWZLBCKJMZ-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.25
Rot. Bonds4

About N-[(4-ethylphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

N-[(4-ethylphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 103872581) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID103872581
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[(4-ethylphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCCc1ccc(CNC(=O)C2CC23CCNCC3)cc1
InChIInChI=1S/C17H24N2O/c1-2-13-3-5-14(6-4-13)12-19-16(20)15-11-17(15)7-9-18-10-8-17/h3-6,15,18H,2,7-12H2,1H3,(H,19,20)
InChIKeyBZTNCWZLBCKJMZ-UHFFFAOYSA-N
XLogP2.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 106416786
N-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 118759854
(2S,3S)-N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492624
N-(pyridin-3-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 121229553
N-(2-chloroprop-2-enyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 115868404
N-(2-hydroxy-2-methylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 65107462
N-[(5-chloro-2-propoxyphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide;hydrochloride
CID 154900518
acetic acid;N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 154888133
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[(6-methoxy-3-pyridinyl)methyl]spiro[2.4]heptane-2-carboxamide
CID 139007117
N-(4-ethyl-1H-pyrazol-5-yl)-6-azaspiro[2.5]octane-2-carboxamide
CID 104619153
(2S)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 124704452

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 103872581) is N-[(4-ethylphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is CCc1ccc(CNC(=O)C2CC23CCNCC3)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is BZTNCWZLBCKJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-13-3-5-14(6-4-13)12-19-16(20)15-11-17(15)7-9-18-10-8-17/h3-6,15,18H,2,7-12H2,1H3,(H,19,20).
What are the key properties of N-[(4-ethylphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?
N-[(4-ethylphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 103872581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).