N-(2-methoxy-5-methylphenyl)-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide

C24H30N2O4 — CID 110167123

IUPACN-(2-methoxy-5-methylphenyl)-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1
InChIInChI=1S/C24H30N2O4/c1-18-9-10-21(28-2)20(13-18)25-23(27)15-26-14-22(24(17-26)11-6-12-30-24)29-16-19-7-4-3-5-8-19/h3-5,7-10,13,22H,6,11-12,14-17H2,1-2H3,(H,25,27)/t22-,24-/m0/s1
InChIKeyHVAQNMGPBAUEHG-UPVQGACJSA-N
MW410.51 g/mol
LogP3.39
Rot. Bonds7

About N-(2-methoxy-5-methylphenyl)-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide

N-(2-methoxy-5-methylphenyl)-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide (PubChem CID 110167123) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide
PubChem CID110167123
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1
InChIInChI=1S/C24H30N2O4/c1-18-9-10-21(28-2)20(13-18)25-23(27)15-26-14-22(24(17-26)11-6-12-30-24)29-16-19-7-4-3-5-8-19/h3-5,7-10,13,22H,6,11-12,14-17H2,1-2H3,(H,25,27)/t22-,24-/m0/s1
InChIKeyHVAQNMGPBAUEHG-UPVQGACJSA-N
XLogP3.39
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125002684
N-(2-methoxy-5-methylphenyl)-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 125002685
N-(5-fluoro-2-methylphenyl)-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 129456847
N-naphthalen-1-yl-2-[(5S,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 129455060
N-(3-fluoro-4-methylphenyl)-2-[(5R,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 124988131
N-[2-(difluoromethoxy)phenyl]-2-[(5R,6R)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]acetamide
CID 129456942
N-(2-fluoro-5-methylphenyl)-2-[(5S,6S)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]acetamide
CID 110162122
2-(4-benzylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2464605
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide
CID 175655212
2-[(5S,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 129453967
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 4800986
2-[(5R,6S)-6-phenylmethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 129455371

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide (CID 110167123) is N-(2-methoxy-5-methylphenyl)-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide is COc1ccc(C)cc1NC(=O)CN1C[C@H](OCc2ccccc2)[C@]2(CCCO2)C1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide?
The InChIKey is HVAQNMGPBAUEHG-UPVQGACJSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-18-9-10-21(28-2)20(13-18)25-23(27)15-26-14-22(24(17-26)11-6-12-30-24)29-16-19-7-4-3-5-8-19/h3-5,7-10,13,22H,6,11-12,14-17H2,1-2H3,(H,25,27)/t22-,24-/m0/s1.
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide?
N-(2-methoxy-5-methylphenyl)-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide has a molecular weight of 410.51 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-[(5S,9S)-9-phenylmethoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]acetamide is sourced from PubChem (CID 110167123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).