1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butoxy]phenyl]propan-1-one

C19H29NO3 — CID 7380349

IUPAC1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1OCCCCN1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C19H29NO3/c1-4-18(21)17-9-5-6-10-19(17)22-12-8-7-11-20-13-15(2)23-16(3)14-20/h5-6,9-10,15-16H,4,7-8,11-14H2,1-3H3/t15-,16-/m1/s1
InChIKeyDUQKKLVIXMWGNZ-HZPDHXFCSA-N
MW319.44 g/mol
LogP3.55
Rot. Bonds8

About 1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butoxy]phenyl]propan-1-one

1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butoxy]phenyl]propan-1-one (PubChem CID 7380349) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is 1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butoxy]phenyl]propan-1-one
PubChem CID7380349
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccccc1OCCCCN1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C19H29NO3/c1-4-18(21)17-9-5-6-10-19(17)22-12-8-7-11-20-13-15(2)23-16(3)14-20/h5-6,9-10,15-16H,4,7-8,11-14H2,1-3H3/t15-,16-/m1/s1
InChIKeyDUQKKLVIXMWGNZ-HZPDHXFCSA-N
XLogP3.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]phenyl]ethanone;hydrochloride
CID 2992912
1-[2-[3-(2,6-dimethylmorpholin-4-yl)propoxy]phenyl]ethanone;hydrochloride
CID 2996173
1-[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]ethanone
CID 7380447
1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]butoxy]phenyl]propan-1-one
CID 7380348
1-[2-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7380391
(2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine
CID 2582416
4-[4-(2-bromophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934524
2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholine;oxalic acid
CID 2936091
1-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]phenyl]propan-1-one
CID 7394000
2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]benzonitrile
CID 2996447
1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]propan-1-one
CID 51980530
(2R,6R)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine
CID 7394194

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butoxy]phenyl]propan-1-one?
The IUPAC name of 1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butoxy]phenyl]propan-1-one (CID 7380349) is 1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butoxy]phenyl]propan-1-one is CCC(=O)c1ccccc1OCCCCN1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of 1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butoxy]phenyl]propan-1-one?
The InChIKey is DUQKKLVIXMWGNZ-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H29NO3/c1-4-18(21)17-9-5-6-10-19(17)22-12-8-7-11-20-13-15(2)23-16(3)14-20/h5-6,9-10,15-16H,4,7-8,11-14H2,1-3H3/t15-,16-/m1/s1.
What are the key properties of 1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butoxy]phenyl]propan-1-one?
1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butoxy]phenyl]propan-1-one has a molecular weight of 319.44 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butoxy]phenyl]propan-1-one is sourced from PubChem (CID 7380349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).