2-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)propan-1-one

C17H25NO2 — CID 110674004

IUPAC2-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)propan-1-one
SMILESCC(Cc1ccc(C(C)C)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C17H25NO2/c1-13(2)16-6-4-15(5-7-16)12-14(3)17(19)18-8-10-20-11-9-18/h4-7,13-14H,8-12H2,1-3H3
InChIKeyPOHNQLHFCLGRCM-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.85
Rot. Bonds4

About 2-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)propan-1-one

2-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)propan-1-one (PubChem CID 110674004) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)propan-1-one
PubChem CID110674004
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)propan-1-one
SMILESCC(Cc1ccc(C(C)C)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C17H25NO2/c1-13(2)16-6-4-15(5-7-16)12-14(3)17(19)18-8-10-20-11-9-18/h4-7,13-14H,8-12H2,1-3H3
InChIKeyPOHNQLHFCLGRCM-UHFFFAOYSA-N
XLogP2.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-methyl-3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide
CID 110674012
1-morpholin-4-yl-2-phenyl-3-[(4-propan-2-ylphenyl)methylamino]propan-1-one
CID 86893294
2-chloro-2-(4-ethylphenyl)-1-morpholin-4-ylethanone
CID 62224102
2-methyl-1-piperidin-1-yl-3-(4-prop-1-en-2-ylphenyl)propan-1-one
CID 20770261
(2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid
CID 15172733
2,4-dimethyl-5-oxo-5-(1,4,7-trioxa-10-azacyclododec-10-yl)pentanoic acid
CID 3095235
benzyl (2R,4S)-2,4-dimethyl-5-oxo-5-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentanoate
CID 92846824
3-(4-bromophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 82095106
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 110347212
(2S)-2-amino-3-(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 54322087
[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium
CID 40562536
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766797

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)propan-1-one?
The IUPAC name of 2-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)propan-1-one (CID 110674004) is 2-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)propan-1-one.
What is the SMILES notation for 2-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)propan-1-one?
The canonical SMILES for 2-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)propan-1-one is CC(Cc1ccc(C(C)C)cc1)C(=O)N1CCOCC1.
What is the InChIKey of 2-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)propan-1-one?
The InChIKey is POHNQLHFCLGRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(2)16-6-4-15(5-7-16)12-14(3)17(19)18-8-10-20-11-9-18/h4-7,13-14H,8-12H2,1-3H3.
What are the key properties of 2-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)propan-1-one?
2-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)propan-1-one has a molecular weight of 275.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-morpholin-4-yl-3-(4-propan-2-ylphenyl)propan-1-one is sourced from PubChem (CID 110674004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).