1-(2-methyl-6-phenylmorpholin-4-yl)-4-(2-phenylethoxy)butan-1-one

C23H29NO3 — CID 47914931

IUPAC1-(2-methyl-6-phenylmorpholin-4-yl)-4-(2-phenylethoxy)butan-1-one
SMILESCC1CN(C(=O)CCCOCCc2ccccc2)CC(c2ccccc2)O1
InChIInChI=1S/C23H29NO3/c1-19-17-24(18-22(27-19)21-11-6-3-7-12-21)23(25)13-8-15-26-16-14-20-9-4-2-5-10-20/h2-7,9-12,19,22H,8,13-18H2,1H3
InChIKeyMQKDLWNZMSPRIZ-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.01
Rot. Bonds8

About 1-(2-methyl-6-phenylmorpholin-4-yl)-4-(2-phenylethoxy)butan-1-one

1-(2-methyl-6-phenylmorpholin-4-yl)-4-(2-phenylethoxy)butan-1-one (PubChem CID 47914931) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-(2-methyl-6-phenylmorpholin-4-yl)-4-(2-phenylethoxy)butan-1-one.

Molecular Properties

Compound Name1-(2-methyl-6-phenylmorpholin-4-yl)-4-(2-phenylethoxy)butan-1-one
PubChem CID47914931
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name1-(2-methyl-6-phenylmorpholin-4-yl)-4-(2-phenylethoxy)butan-1-one
SMILESCC1CN(C(=O)CCCOCCc2ccccc2)CC(c2ccccc2)O1
InChIInChI=1S/C23H29NO3/c1-19-17-24(18-22(27-19)21-11-6-3-7-12-21)23(25)13-8-15-26-16-14-20-9-4-2-5-10-20/h2-7,9-12,19,22H,8,13-18H2,1H3
InChIKeyMQKDLWNZMSPRIZ-UHFFFAOYSA-N
XLogP4.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-phenylbutan-1-one
CID 807657
3-(3-methoxyphenyl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one
CID 47914001
1-[(3S,5R)-4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]-4-(2-phenylethoxy)butan-1-one
CID 97023983
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-4-(2-phenylethoxy)butan-1-one;hydrochloride
CID 120748525
4-(2-phenylethoxy)-1-pyrrolidin-1-ylbutan-1-one
CID 87010718
1-(3-methylpiperazin-1-yl)-4-(2-phenylethoxy)butan-1-one;hydrochloride
CID 119577753
1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone
CID 47914743
1-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 95583655
3-methoxy-4-[4-(2-methyl-6-phenylmorpholin-4-yl)-4-oxobutoxy]benzonitrile
CID 47914800
1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4-phenylbutan-1-one
CID 102937338
1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 95583677
(2R,6R)-2-methyl-6-phenyl-N-phenylmethoxymorpholine-4-carboxamide
CID 95220454

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-phenylmorpholin-4-yl)-4-(2-phenylethoxy)butan-1-one?
The IUPAC name of 1-(2-methyl-6-phenylmorpholin-4-yl)-4-(2-phenylethoxy)butan-1-one (CID 47914931) is 1-(2-methyl-6-phenylmorpholin-4-yl)-4-(2-phenylethoxy)butan-1-one.
What is the SMILES notation for 1-(2-methyl-6-phenylmorpholin-4-yl)-4-(2-phenylethoxy)butan-1-one?
The canonical SMILES for 1-(2-methyl-6-phenylmorpholin-4-yl)-4-(2-phenylethoxy)butan-1-one is CC1CN(C(=O)CCCOCCc2ccccc2)CC(c2ccccc2)O1.
What is the InChIKey of 1-(2-methyl-6-phenylmorpholin-4-yl)-4-(2-phenylethoxy)butan-1-one?
The InChIKey is MQKDLWNZMSPRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-19-17-24(18-22(27-19)21-11-6-3-7-12-21)23(25)13-8-15-26-16-14-20-9-4-2-5-10-20/h2-7,9-12,19,22H,8,13-18H2,1H3.
What are the key properties of 1-(2-methyl-6-phenylmorpholin-4-yl)-4-(2-phenylethoxy)butan-1-one?
1-(2-methyl-6-phenylmorpholin-4-yl)-4-(2-phenylethoxy)butan-1-one has a molecular weight of 367.49 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-phenylmorpholin-4-yl)-4-(2-phenylethoxy)butan-1-one is sourced from PubChem (CID 47914931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).