N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

C19H28N2O3 — CID 97231378

IUPACN-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESC[C@@H](CCc1ccc(O)cc1)NC(=O)N1CCOC2(CCCC2)C1
InChIInChI=1S/C19H28N2O3/c1-15(4-5-16-6-8-17(22)9-7-16)20-18(23)21-12-13-24-19(14-21)10-2-3-11-19/h6-9,15,22H,2-5,10-14H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyMZJPTDXUXYNMBG-HNNXBMFYSA-N
MW332.44 g/mol
LogP3.07
Rot. Bonds4

About N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide

N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (PubChem CID 97231378) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
PubChem CID97231378
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
SMILESC[C@@H](CCc1ccc(O)cc1)NC(=O)N1CCOC2(CCCC2)C1
InChIInChI=1S/C19H28N2O3/c1-15(4-5-16-6-8-17(22)9-7-16)20-18(23)21-12-13-24-19(14-21)10-2-3-11-19/h6-9,15,22H,2-5,10-14H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyMZJPTDXUXYNMBG-HNNXBMFYSA-N
XLogP3.07
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The IUPAC name of N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide (CID 97231378) is N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide.
What is the SMILES notation for N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The canonical SMILES for N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CCOC2(CCCC2)C1.
What is the InChIKey of N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
The InChIKey is MZJPTDXUXYNMBG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-15(4-5-16-6-8-17(22)9-7-16)20-18(23)21-12-13-24-19(14-21)10-2-3-11-19/h6-9,15,22H,2-5,10-14H2,1H3,(H,20,23)/t15-/m0/s1.
What are the key properties of N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide?
N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide is sourced from PubChem (CID 97231378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).