(5-benzyl-3,3-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone

C18H25NO3 — CID 110673210

IUPAC(5-benzyl-3,3-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone
SMILESCC1(C)COCC(Cc2ccccc2)N1C(=O)C1CCCO1
InChIInChI=1S/C18H25NO3/c1-18(2)13-21-12-15(11-14-7-4-3-5-8-14)19(18)17(20)16-9-6-10-22-16/h3-5,7-8,15-16H,6,9-13H2,1-2H3
InChIKeyLDMVCQNDDRBDMT-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.41
Rot. Bonds3

About (5-benzyl-3,3-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone

(5-benzyl-3,3-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone (PubChem CID 110673210) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (5-benzyl-3,3-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(5-benzyl-3,3-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone
PubChem CID110673210
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(5-benzyl-3,3-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone
SMILESCC1(C)COCC(Cc2ccccc2)N1C(=O)C1CCCO1
InChIInChI=1S/C18H25NO3/c1-18(2)13-21-12-15(11-14-7-4-3-5-8-14)19(18)17(20)16-9-6-10-22-16/h3-5,7-8,15-16H,6,9-13H2,1-2H3
InChIKeyLDMVCQNDDRBDMT-UHFFFAOYSA-N
XLogP2.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-benzylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 82247957
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
[5,5-dimethyl-2-(2-phenylethyl)morpholin-4-yl]-(oxolan-2-yl)methanone
CID 110707034
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110797536
3,5-dibenzylmorpholine-4-carboxylic acid
CID 174864328
oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone
CID 110399555
benzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate
CID 85064014
N-(2-benzylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 51944792
N-(2-benzylcyclopropyl)-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 119161308
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97397082
[(2R)-oxolan-2-yl]-[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]methanone
CID 96534714

Frequently Asked Questions

What is the IUPAC name of (5-benzyl-3,3-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone?
The IUPAC name of (5-benzyl-3,3-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone (CID 110673210) is (5-benzyl-3,3-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (5-benzyl-3,3-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone?
The canonical SMILES for (5-benzyl-3,3-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone is CC1(C)COCC(Cc2ccccc2)N1C(=O)C1CCCO1.
What is the InChIKey of (5-benzyl-3,3-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone?
The InChIKey is LDMVCQNDDRBDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-18(2)13-21-12-15(11-14-7-4-3-5-8-14)19(18)17(20)16-9-6-10-22-16/h3-5,7-8,15-16H,6,9-13H2,1-2H3.
What are the key properties of (5-benzyl-3,3-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone?
(5-benzyl-3,3-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone has a molecular weight of 303.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyl-3,3-dimethylmorpholin-4-yl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 110673210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).