1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one

C18H27NO3 — CID 19866996

IUPAC1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCCCCOc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1
InChIInChI=1S/C18H27NO3/c1-4-5-12-22-16-8-6-15(7-9-16)17(20)18(2,3)19-10-13-21-14-11-19/h6-9H,4-5,10-14H2,1-3H3
InChIKeyYOYULVCTQIZHOM-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.16
Rot. Bonds7

About 1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one

1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one (PubChem CID 19866996) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
PubChem CID19866996
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
SMILESCCCCOc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1
InChIInChI=1S/C18H27NO3/c1-4-5-12-22-16-8-6-15(7-9-16)17(20)18(2,3)19-10-13-21-14-11-19/h6-9H,4-5,10-14H2,1-3H3
InChIKeyYOYULVCTQIZHOM-UHFFFAOYSA-N
XLogP3.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.16
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-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19867019
1-[4-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one;methane
CID 157392457
1-[4-[4-(2-hydroxyethoxy)phenyl]sulfanylphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 129155311
1-(4-butylsulfanylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19879444
1-[4-(2-hydroxy-2-phenylethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19866876
2-methyl-1-[4-[2-[methyl-bis(trimethylsilyloxy)silyl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one
CID 18728748
1-[4-[4-[2-(4-butylphenyl)ethynyl]phenyl]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 22929010
1-[4-[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19866835
1-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19867028
2-methyl-1-[6-(2-methyl-2-morpholin-4-ylpropanoyl)-9-octylcarbazol-3-yl]-2-morpholin-4-ylpropan-1-one
CID 4175151
1-(9,9-dibutyl-7-methoxyfluoren-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 138655842
morpholin-4-yl-[4-(4-octoxyphenyl)phenyl]methanone
CID 3399674

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one (CID 19866996) is 1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one is CCCCOc1ccc(C(=O)C(C)(C)N2CCOCC2)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one?
The InChIKey is YOYULVCTQIZHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-4-5-12-22-16-8-6-15(7-9-16)17(20)18(2,3)19-10-13-21-14-11-19/h6-9H,4-5,10-14H2,1-3H3.
What are the key properties of 1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one?
1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one has a molecular weight of 305.42 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 19866996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).