3-methyl-N-[[(2R)-8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide

C22H32N2O3 — CID 42167479

IUPAC3-methyl-N-[[(2R)-8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
SMILESCc1cccc(C(=O)NC[C@H]2CCC3(CCN(C(=O)CC(C)C)CC3)O2)c1
InChIInChI=1S/C22H32N2O3/c1-16(2)13-20(25)24-11-9-22(10-12-24)8-7-19(27-22)15-23-21(26)18-6-4-5-17(3)14-18/h4-6,14,16,19H,7-13,15H2,1-3H3,(H,23,26)/t19-/m1/s1
InChIKeySUVWNAKIPNMLSA-LJQANCHMSA-N
MW372.51 g/mol
LogP3.31
Rot. Bonds5

About 3-methyl-N-[[(2R)-8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide

3-methyl-N-[[(2R)-8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide (PubChem CID 42167479) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 3-methyl-N-[[(2R)-8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[[(2R)-8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
PubChem CID42167479
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name3-methyl-N-[[(2R)-8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
SMILESCc1cccc(C(=O)NC[C@H]2CCC3(CCN(C(=O)CC(C)C)CC3)O2)c1
InChIInChI=1S/C22H32N2O3/c1-16(2)13-20(25)24-11-9-22(10-12-24)8-7-19(27-22)15-23-21(26)18-6-4-5-17(3)14-18/h4-6,14,16,19H,7-13,15H2,1-3H3,(H,23,26)/t19-/m1/s1
InChIKeySUVWNAKIPNMLSA-LJQANCHMSA-N
XLogP3.31
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3-pyridin-2-ylprop-2-enamide
CID 74791922
2-(2-chloro-4-fluorophenyl)-N-[[8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]acetamide
CID 45185315
3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819611
N-[[(2S)-8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dimethylbenzamide
CID 42237886
3,5-dimethyl-N-[[8-(pyridin-4-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 118755019
N-[[(2S)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 42440769
N-[[8-(furan-3-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2-methylbenzamide
CID 45182506
3-methyl-N-[1-[1-(3-methylbutanoyl)piperidin-4-yl]-2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 42840420
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 108922106
N-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]-3-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 99795460
N-[[(2S)-8-[(3R)-3-methylpentanoyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclohexanecarboxamide
CID 42405719
3-[(3-methylbenzoyl)amino]-N-[1-(3-methylbutanoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 46049142

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[(2R)-8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?
The IUPAC name of 3-methyl-N-[[(2R)-8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide (CID 42167479) is 3-methyl-N-[[(2R)-8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide.
What is the SMILES notation for 3-methyl-N-[[(2R)-8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?
The canonical SMILES for 3-methyl-N-[[(2R)-8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide is Cc1cccc(C(=O)NC[C@H]2CCC3(CCN(C(=O)CC(C)C)CC3)O2)c1.
What is the InChIKey of 3-methyl-N-[[(2R)-8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?
The InChIKey is SUVWNAKIPNMLSA-LJQANCHMSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-16(2)13-20(25)24-11-9-22(10-12-24)8-7-19(27-22)15-23-21(26)18-6-4-5-17(3)14-18/h4-6,14,16,19H,7-13,15H2,1-3H3,(H,23,26)/t19-/m1/s1.
What are the key properties of 3-methyl-N-[[(2R)-8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide?
3-methyl-N-[[(2R)-8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide has a molecular weight of 372.51 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[(2R)-8-(3-methylbutanoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide is sourced from PubChem (CID 42167479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).