[3-(3,3-dimethylbutyl)phenyl]-morpholin-4-ylmethanone

C17H25NO2 — CID 147198706

IUPAC[3-(3,3-dimethylbutyl)phenyl]-morpholin-4-ylmethanone
SMILESCC(C)(C)CCc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C17H25NO2/c1-17(2,3)8-7-14-5-4-6-15(13-14)16(19)18-9-11-20-12-10-18/h4-6,13H,7-12H2,1-3H3
InChIKeyCCWSQLMTPLTRBM-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.14
Rot. Bonds3

About [3-(3,3-dimethylbutyl)phenyl]-morpholin-4-ylmethanone

[3-(3,3-dimethylbutyl)phenyl]-morpholin-4-ylmethanone (PubChem CID 147198706) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is [3-(3,3-dimethylbutyl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(3,3-dimethylbutyl)phenyl]-morpholin-4-ylmethanone
PubChem CID147198706
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name[3-(3,3-dimethylbutyl)phenyl]-morpholin-4-ylmethanone
SMILESCC(C)(C)CCc1cccc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C17H25NO2/c1-17(2,3)8-7-14-5-4-6-15(13-14)16(19)18-9-11-20-12-10-18/h4-6,13H,7-12H2,1-3H3
InChIKeyCCWSQLMTPLTRBM-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [3-(3,3-dimethylbutyl)phenyl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;(3-ethylphenyl)-morpholin-4-ylmethanone
CID 143725238
[(3R)-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 95891625
3-[[3-(morpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122029654
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
ethane;N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide
CID 145404555
[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone
CID 58674996
[4-(2-hydroxyethyl)piperidin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 70783319
[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone
CID 35324290
ethane;N-[1-[3-(morpholine-4-carbonyl)phenyl]propan-2-yl]acetamide
CID 142839545
[3-(2,2-dimethylpentyl)phenyl]-piperidin-1-ylmethanone
CID 126764258
5-methyl-1-[[3-(morpholine-4-carbonyl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122480
cyclopropyl-[4-[3-(3-hydroxy-3-methylbutyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 70726280

Frequently Asked Questions

What is the IUPAC name of [3-(3,3-dimethylbutyl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(3,3-dimethylbutyl)phenyl]-morpholin-4-ylmethanone (CID 147198706) is [3-(3,3-dimethylbutyl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(3,3-dimethylbutyl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(3,3-dimethylbutyl)phenyl]-morpholin-4-ylmethanone is CC(C)(C)CCc1cccc(C(=O)N2CCOCC2)c1.
What is the InChIKey of [3-(3,3-dimethylbutyl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is CCWSQLMTPLTRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(2,3)8-7-14-5-4-6-15(13-14)16(19)18-9-11-20-12-10-18/h4-6,13H,7-12H2,1-3H3.
What are the key properties of [3-(3,3-dimethylbutyl)phenyl]-morpholin-4-ylmethanone?
[3-(3,3-dimethylbutyl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 275.39 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,3-dimethylbutyl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 147198706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).