2-methyl-N-[[(2R)-8-[(4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carboxamide

C28H34N4O3 — CID 42367487

IUPAC2-methyl-N-[[(2R)-8-[(4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC[C@H]1CCC2(CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)O1
InChIInChI=1S/C28H34N4O3/c1-31-26(12-16-30-31)27(33)29-19-25-11-13-28(35-25)14-17-32(18-15-28)20-22-7-9-24(10-8-22)34-21-23-5-3-2-4-6-23/h2-10,12,16,25H,11,13-15,17-21H2,1H3,(H,29,33)/t25-/m1/s1
InChIKeyNNNRRMFISQPHNA-RUZDIDTESA-N
MW474.61 g/mol
LogP3.94
Rot. Bonds8

About 2-methyl-N-[[(2R)-8-[(4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carboxamide

2-methyl-N-[[(2R)-8-[(4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carboxamide (PubChem CID 42367487) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is 2-methyl-N-[[(2R)-8-[(4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[(2R)-8-[(4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carboxamide
PubChem CID42367487
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Name2-methyl-N-[[(2R)-8-[(4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC[C@H]1CCC2(CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)O1
InChIInChI=1S/C28H34N4O3/c1-31-26(12-16-30-31)27(33)29-19-25-11-13-28(35-25)14-17-32(18-15-28)20-22-7-9-24(10-8-22)34-21-23-5-3-2-4-6-23/h2-10,12,16,25H,11,13-15,17-21H2,1H3,(H,29,33)/t25-/m1/s1
InChIKeyNNNRRMFISQPHNA-RUZDIDTESA-N
XLogP3.94
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[8-[(2,5-dimethylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 45166387
N-[[(2R)-8-[(2,5-difluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 42213678
N-[[8-[[4-(dimethylamino)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyridine-2-carboxamide
CID 45238728
N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 42273015
N-[[8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpropanamide
CID 45207665
N-[[(2S)-8-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylpropanamide
CID 42501115
N-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 42440769
(2S)-N-[[(2R)-8-benzyl-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methoxy-2-phenylacetamide
CID 42343316
N-[[(2S)-8-[(3-phenoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 42341477
2-(4-acetylphenoxy)-N-[[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 56852445
4-phenyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]butanamide
CID 45242799
N-[[8-[[4-(2-methylpropyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]furan-2-carboxamide
CID 45186392

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(2R)-8-[(4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[[(2R)-8-[(4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carboxamide (CID 42367487) is 2-methyl-N-[[(2R)-8-[(4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[[(2R)-8-[(4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[[(2R)-8-[(4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carboxamide is Cn1nccc1C(=O)NC[C@H]1CCC2(CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)O1.
What is the InChIKey of 2-methyl-N-[[(2R)-8-[(4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carboxamide?
The InChIKey is NNNRRMFISQPHNA-RUZDIDTESA-N. The full InChI is InChI=1S/C28H34N4O3/c1-31-26(12-16-30-31)27(33)29-19-25-11-13-28(35-25)14-17-32(18-15-28)20-22-7-9-24(10-8-22)34-21-23-5-3-2-4-6-23/h2-10,12,16,25H,11,13-15,17-21H2,1H3,(H,29,33)/t25-/m1/s1.
What are the key properties of 2-methyl-N-[[(2R)-8-[(4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carboxamide?
2-methyl-N-[[(2R)-8-[(4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(2R)-8-[(4-phenylmethoxyphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 42367487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).