[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone

C16H23NO2 — CID 58674996

IUPAC[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone
SMILESCC(C)(C)Cc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H23NO2/c1-16(2,3)12-13-4-6-14(7-5-13)15(18)17-8-10-19-11-9-17/h4-7H,8-12H2,1-3H3
InChIKeyKACXFAPPHYJPAS-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.75
Rot. Bonds2

About [4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone

[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone (PubChem CID 58674996) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is [4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone
PubChem CID58674996
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone
SMILESCC(C)(C)Cc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H23NO2/c1-16(2,3)12-13-4-6-14(7-5-13)15(18)17-8-10-19-11-9-17/h4-7H,8-12H2,1-3H3
InChIKeyKACXFAPPHYJPAS-UHFFFAOYSA-N
XLogP2.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid
CID 28760123
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
[4-(chloromethyl)phenyl]-(1,4-oxazepan-4-yl)methanone
CID 62986957
4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
CID 59743834
[4-[[4-(hydroxymethyl)phenyl]methylamino]phenyl]-morpholin-4-ylmethanone
CID 110006533
N-tert-butyl-2-[4-(morpholine-4-carbonyl)anilino]acetamide
CID 54832569
[3-(3,3-dimethylbutyl)phenyl]-morpholin-4-ylmethanone
CID 147198706
lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468
[5-(morpholine-4-carbonyl)furan-2-yl]-morpholin-4-ylmethanone
CID 165349427
1-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496775

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone (CID 58674996) is [4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone is CC(C)(C)Cc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of [4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is KACXFAPPHYJPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2,3)12-13-4-6-14(7-5-13)15(18)17-8-10-19-11-9-17/h4-7H,8-12H2,1-3H3.
What are the key properties of [4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone?
[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 261.36 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 [4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 58674996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).