N-(7-oxaspiro[3.5]nonan-3-yl)-4-phenyloxane-4-carboxamide

C20H27NO3 — CID 122276201

IUPACN-(7-oxaspiro[3.5]nonan-3-yl)-4-phenyloxane-4-carboxamide
SMILESO=C(NC1CCC12CCOCC2)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H27NO3/c22-18(21-17-6-7-19(17)8-12-23-13-9-19)20(10-14-24-15-11-20)16-4-2-1-3-5-16/h1-5,17H,6-15H2,(H,21,22)
InChIKeyQYRRLGNLCFMSLK-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.81
Rot. Bonds3

About N-(7-oxaspiro[3.5]nonan-3-yl)-4-phenyloxane-4-carboxamide

N-(7-oxaspiro[3.5]nonan-3-yl)-4-phenyloxane-4-carboxamide (PubChem CID 122276201) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(7-oxaspiro[3.5]nonan-3-yl)-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(7-oxaspiro[3.5]nonan-3-yl)-4-phenyloxane-4-carboxamide
PubChem CID122276201
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC NameN-(7-oxaspiro[3.5]nonan-3-yl)-4-phenyloxane-4-carboxamide
SMILESO=C(NC1CCC12CCOCC2)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H27NO3/c22-18(21-17-6-7-19(17)8-12-23-13-9-19)20(10-14-24-15-11-20)16-4-2-1-3-5-16/h1-5,17H,6-15H2,(H,21,22)
InChIKeyQYRRLGNLCFMSLK-UHFFFAOYSA-N
XLogP2.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)cyclopropane-1-carboxamide
CID 122276415
N-(4-methylidenecyclohexyl)-4-phenyloxane-4-carboxamide
CID 126851440
N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide
CID 39895770
N-(7-oxaspiro[3.5]nonan-3-yl)-2-phenoxypropanamide
CID 122276157
N-benzhydryl-4-phenyloxane-4-carboxamide
CID 27456066
2-(4-fluorophenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)acetamide
CID 122276140
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
4-(4-bromophenyl)-N-(oxan-4-yl)oxane-4-carboxamide
CID 169449681
4-fluoro-N-(7-oxaspiro[3.5]nonan-3-yl)benzamide
CID 122276126
2-(2-methoxyphenyl)-N-(7-oxaspiro[3.5]nonan-3-yl)acetamide
CID 122276372
N-[2-cyclopropyl-2-[(4-phenyloxane-4-carbonyl)amino]ethyl]-4-phenyloxane-4-carboxamide
CID 60615517
4-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxane-4-carboxamide
CID 166190743

Frequently Asked Questions

What is the IUPAC name of N-(7-oxaspiro[3.5]nonan-3-yl)-4-phenyloxane-4-carboxamide?
The IUPAC name of N-(7-oxaspiro[3.5]nonan-3-yl)-4-phenyloxane-4-carboxamide (CID 122276201) is N-(7-oxaspiro[3.5]nonan-3-yl)-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-(7-oxaspiro[3.5]nonan-3-yl)-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-(7-oxaspiro[3.5]nonan-3-yl)-4-phenyloxane-4-carboxamide is O=C(NC1CCC12CCOCC2)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-(7-oxaspiro[3.5]nonan-3-yl)-4-phenyloxane-4-carboxamide?
The InChIKey is QYRRLGNLCFMSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c22-18(21-17-6-7-19(17)8-12-23-13-9-19)20(10-14-24-15-11-20)16-4-2-1-3-5-16/h1-5,17H,6-15H2,(H,21,22).
What are the key properties of N-(7-oxaspiro[3.5]nonan-3-yl)-4-phenyloxane-4-carboxamide?
N-(7-oxaspiro[3.5]nonan-3-yl)-4-phenyloxane-4-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxaspiro[3.5]nonan-3-yl)-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 122276201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).