2-morpholin-4-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]benzamide

C20H28N2O3 — CID 125165608

IUPAC2-morpholin-4-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]benzamide
SMILESO=C(N[C@@H]1COC2(CCCCC2)C1)c1ccccc1N1CCOCC1
InChIInChI=1S/C20H28N2O3/c23-19(21-16-14-20(25-15-16)8-4-1-5-9-20)17-6-2-3-7-18(17)22-10-12-24-13-11-22/h2-3,6-7,16H,1,4-5,8-15H2,(H,21,23)/t16-/m0/s1
InChIKeyABPUKRYFDGIBCP-INIZCTEOSA-N
MW344.46 g/mol
LogP2.74
Rot. Bonds3

About 2-morpholin-4-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]benzamide

2-morpholin-4-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]benzamide (PubChem CID 125165608) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]benzamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]benzamide
PubChem CID125165608
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name2-morpholin-4-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]benzamide
SMILESO=C(N[C@@H]1COC2(CCCCC2)C1)c1ccccc1N1CCOCC1
InChIInChI=1S/C20H28N2O3/c23-19(21-16-14-20(25-15-16)8-4-1-5-9-20)17-6-2-3-7-18(17)22-10-12-24-13-11-22/h2-3,6-7,16H,1,4-5,8-15H2,(H,21,23)/t16-/m0/s1
InChIKeyABPUKRYFDGIBCP-INIZCTEOSA-N
XLogP2.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-morpholin-4-yl-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylbenzamide
CID 131931836
N-(1,1-dioxothian-4-yl)-2-morpholin-4-ylbenzamide
CID 91766122
N-[(1R,2S)-2-(cycloheptylamino)cyclobutyl]-2-morpholin-4-ylbenzamide
CID 133112648
N-[(3R)-1-oxaspiro[4.5]decan-3-yl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 124751545
(2S,4S)-1-methyl-4-[(2-morpholin-4-ylbenzoyl)amino]pyrrolidine-2-carboxylic acid
CID 118763707
2-morpholin-4-yl-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 77085484
N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 168514596
2-morpholin-4-ylbenzohydrazide
CID 7148386
N-(1,4-dioxan-2-ylmethyl)-2-morpholin-4-ylbenzamide
CID 77086310
3-[(2-morpholin-4-ylbenzoyl)amino]propanoic acid
CID 119350882
2,4,5-trimethoxy-N-(1-oxaspiro[4.5]decan-3-yl)benzamide
CID 118762504
2-[(3S,4R)-4-[(2-morpholin-4-ylbenzoyl)amino]oxan-3-yl]oxyacetic acid
CID 91793018

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]benzamide?
The IUPAC name of 2-morpholin-4-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]benzamide (CID 125165608) is 2-morpholin-4-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]benzamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]benzamide?
The canonical SMILES for 2-morpholin-4-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]benzamide is O=C(N[C@@H]1COC2(CCCCC2)C1)c1ccccc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]benzamide?
The InChIKey is ABPUKRYFDGIBCP-INIZCTEOSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-19(21-16-14-20(25-15-16)8-4-1-5-9-20)17-6-2-3-7-18(17)22-10-12-24-13-11-22/h2-3,6-7,16H,1,4-5,8-15H2,(H,21,23)/t16-/m0/s1.
What are the key properties of 2-morpholin-4-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]benzamide?
2-morpholin-4-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]benzamide has a molecular weight of 344.46 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]benzamide is sourced from PubChem (CID 125165608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).