N-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide

C24H30N2O2 — CID 42440769

IUPACN-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCC2(CCN(CCc3ccccc3)CC2)O1)c1ccccc1
InChIInChI=1S/C24H30N2O2/c27-23(21-9-5-2-6-10-21)25-19-22-11-13-24(28-22)14-17-26(18-15-24)16-12-20-7-3-1-4-8-20/h1-10,22H,11-19H2,(H,25,27)/t22-/m0/s1
InChIKeyRMFYBZJULOXHQG-QFIPXVFZSA-N
MW378.52 g/mol
LogP3.67
Rot. Bonds6

About N-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide

N-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide (PubChem CID 42440769) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
PubChem CID42440769
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
SMILESO=C(NC[C@@H]1CCC2(CCN(CCc3ccccc3)CC2)O1)c1ccccc1
InChIInChI=1S/C24H30N2O2/c27-23(21-9-5-2-6-10-21)25-19-22-11-13-24(28-22)14-17-26(18-15-24)16-12-20-7-3-1-4-8-20/h1-10,22H,11-19H2,(H,25,27)/t22-/m0/s1
InChIKeyRMFYBZJULOXHQG-QFIPXVFZSA-N
XLogP3.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 118755620
4-fluoro-N-[[(2R)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 26344101
2-methyl-N-[[(2S)-8-(3-phenylpropyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 26339872
N-[[(2R)-8-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 42434300
N-[[4-(2-phenylethyl)morpholin-2-yl]methyl]benzamide
CID 90904746
N-[[(5R,7R)-2-(cyclopropylmethyl)-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]benzamide
CID 97476193
N-[[8-[(2-methoxynaphthalen-1-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 45166399
N-[[8-[3-[4-(dimethylamino)phenyl]prop-2-enyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 75099032
2-phenyl-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 45170967
4-phenyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]butanamide
CID 45242799
4-(4-fluorophenyl)-N-[[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 26278296
2-methyl-N-[[(2R)-8-[(4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carboxamide
CID 42367487

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?
The IUPAC name of N-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide (CID 42440769) is N-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?
The canonical SMILES for N-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide is O=C(NC[C@@H]1CCC2(CCN(CCc3ccccc3)CC2)O1)c1ccccc1.
What is the InChIKey of N-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?
The InChIKey is RMFYBZJULOXHQG-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H30N2O2/c27-23(21-9-5-2-6-10-21)25-19-22-11-13-24(28-22)14-17-26(18-15-24)16-12-20-7-3-1-4-8-20/h1-10,22H,11-19H2,(H,25,27)/t22-/m0/s1.
What are the key properties of N-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?
N-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide has a molecular weight of 378.52 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide is sourced from PubChem (CID 42440769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).