3,4-dimethyl-N-[2-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]benzamide

C19H26N2O4 — CID 95633023

IUPAC3,4-dimethyl-N-[2-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCC3(CC2)OC[C@@H](C)O3)cc1C
InChIInChI=1S/C19H26N2O4/c1-13-4-5-16(10-14(13)2)18(23)20-11-17(22)21-8-6-19(7-9-21)24-12-15(3)25-19/h4-5,10,15H,6-9,11-12H2,1-3H3,(H,20,23)/t15-/m1/s1
InChIKeyPQIXYALVIGEHRN-OAHLLOKOSA-N
MW346.43 g/mol
LogP1.79
Rot. Bonds3

About 3,4-dimethyl-N-[2-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]benzamide

3,4-dimethyl-N-[2-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]benzamide (PubChem CID 95633023) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]benzamide
PubChem CID95633023
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name3,4-dimethyl-N-[2-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)N2CCC3(CC2)OC[C@@H](C)O3)cc1C
InChIInChI=1S/C19H26N2O4/c1-13-4-5-16(10-14(13)2)18(23)20-11-17(22)21-8-6-19(7-9-21)24-12-15(3)25-19/h4-5,10,15H,6-9,11-12H2,1-3H3,(H,20,23)/t15-/m1/s1
InChIKeyPQIXYALVIGEHRN-OAHLLOKOSA-N
XLogP1.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3,4-dimethylbenzamide
CID 51160837
3,4-dimethyl-N-[2-[(2S)-2-methylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 42001425
3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708769
N-[2-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethylbenzamide
CID 38607876
3,4-dimethyl-N-[2-[4-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 38491208
2-(6,7-dimethyl-1-benzofuran-3-yl)-1-(3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 56793979
3,4-dimethyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide
CID 9254212
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-methoxybenzamide
CID 38376792
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-fluorobenzamide
CID 43057717
6-[2-[(3-methyl-4-nitrobenzoyl)amino]acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514843
3,4-dimethyl-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]benzamide
CID 110359284
4-fluoro-3-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 63213553

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]benzamide (CID 95633023) is 3,4-dimethyl-N-[2-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]benzamide is Cc1ccc(C(=O)NCC(=O)N2CCC3(CC2)OC[C@@H](C)O3)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]benzamide?
The InChIKey is PQIXYALVIGEHRN-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13-4-5-16(10-14(13)2)18(23)20-11-17(22)21-8-6-19(7-9-21)24-12-15(3)25-19/h4-5,10,15H,6-9,11-12H2,1-3H3,(H,20,23)/t15-/m1/s1.
What are the key properties of 3,4-dimethyl-N-[2-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]benzamide?
3,4-dimethyl-N-[2-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]benzamide has a molecular weight of 346.43 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-[(3R)-3-methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 95633023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).