(2,2-dimethylmorpholin-4-yl)-(1-phenylcyclobutyl)methanone

C17H23NO2 — CID 86983017

IUPAC(2,2-dimethylmorpholin-4-yl)-(1-phenylcyclobutyl)methanone
SMILESCC1(C)CN(C(=O)C2(c3ccccc3)CCC2)CCO1
InChIInChI=1S/C17H23NO2/c1-16(2)13-18(11-12-20-16)15(19)17(9-6-10-17)14-7-4-3-5-8-14/h3-5,7-8H,6,9-13H2,1-2H3
InChIKeyFIULPTOMOZTRLO-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.75
Rot. Bonds2

About (2,2-dimethylmorpholin-4-yl)-(1-phenylcyclobutyl)methanone

(2,2-dimethylmorpholin-4-yl)-(1-phenylcyclobutyl)methanone (PubChem CID 86983017) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (2,2-dimethylmorpholin-4-yl)-(1-phenylcyclobutyl)methanone.

Molecular Properties

Compound Name(2,2-dimethylmorpholin-4-yl)-(1-phenylcyclobutyl)methanone
PubChem CID86983017
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(2,2-dimethylmorpholin-4-yl)-(1-phenylcyclobutyl)methanone
SMILESCC1(C)CN(C(=O)C2(c3ccccc3)CCC2)CCO1
InChIInChI=1S/C17H23NO2/c1-16(2)13-18(11-12-20-16)15(19)17(9-6-10-17)14-7-4-3-5-8-14/h3-5,7-8H,6,9-13H2,1-2H3
InChIKeyFIULPTOMOZTRLO-UHFFFAOYSA-N
XLogP2.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methyl-4-(1-phenylcyclopropanecarbonyl)morpholine-2-carboxamide
CID 95839509
(3,3-dimethyl-1,4-diazepan-1-yl)-(1-phenylcyclopropyl)methanone
CID 82247724
2,2-dimethyl-N-[(1-phenylcyclopropyl)methyl]morpholine-4-carboxamide
CID 38290092
3-methyl-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylic acid
CID 63146569
(3R)-1-(1-acetyl-4-phenylpiperidine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 97324717
(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899
[1-(difluoromethyl)cyclopropyl]-(2-methyl-2-phenylmorpholin-4-yl)methanone
CID 126817191
2-[(2,2-dimethylmorpholine-4-carbonyl)amino]benzoic acid
CID 61202030
2,7-diazaspiro[4.4]nonan-2-yl-(1-phenylcyclobutyl)methanone
CID 82038165
(1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 135165735
(4-aminopiperidin-1-yl)-(1-phenylcyclobutyl)methanone;hydrochloride
CID 119374083
[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 124990656

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylmorpholin-4-yl)-(1-phenylcyclobutyl)methanone?
The IUPAC name of (2,2-dimethylmorpholin-4-yl)-(1-phenylcyclobutyl)methanone (CID 86983017) is (2,2-dimethylmorpholin-4-yl)-(1-phenylcyclobutyl)methanone.
What is the SMILES notation for (2,2-dimethylmorpholin-4-yl)-(1-phenylcyclobutyl)methanone?
The canonical SMILES for (2,2-dimethylmorpholin-4-yl)-(1-phenylcyclobutyl)methanone is CC1(C)CN(C(=O)C2(c3ccccc3)CCC2)CCO1.
What is the InChIKey of (2,2-dimethylmorpholin-4-yl)-(1-phenylcyclobutyl)methanone?
The InChIKey is FIULPTOMOZTRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-16(2)13-18(11-12-20-16)15(19)17(9-6-10-17)14-7-4-3-5-8-14/h3-5,7-8H,6,9-13H2,1-2H3.
What are the key properties of (2,2-dimethylmorpholin-4-yl)-(1-phenylcyclobutyl)methanone?
(2,2-dimethylmorpholin-4-yl)-(1-phenylcyclobutyl)methanone has a molecular weight of 273.38 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylmorpholin-4-yl)-(1-phenylcyclobutyl)methanone is sourced from PubChem (CID 86983017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).