3-[(2-methyloxolan-3-yl)amino]-1-morpholin-4-yl-2-phenylpropan-1-one

C18H26N2O3 — CID 75441504

IUPAC3-[(2-methyloxolan-3-yl)amino]-1-morpholin-4-yl-2-phenylpropan-1-one
SMILESCC1OCCC1NCC(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C18H26N2O3/c1-14-17(7-10-23-14)19-13-16(15-5-3-2-4-6-15)18(21)20-8-11-22-12-9-20/h2-6,14,16-17,19H,7-13H2,1H3
InChIKeyCWLDCIIEARPQCI-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.40
Rot. Bonds5

About 3-[(2-methyloxolan-3-yl)amino]-1-morpholin-4-yl-2-phenylpropan-1-one

3-[(2-methyloxolan-3-yl)amino]-1-morpholin-4-yl-2-phenylpropan-1-one (PubChem CID 75441504) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-[(2-methyloxolan-3-yl)amino]-1-morpholin-4-yl-2-phenylpropan-1-one.

Molecular Properties

Compound Name3-[(2-methyloxolan-3-yl)amino]-1-morpholin-4-yl-2-phenylpropan-1-one
PubChem CID75441504
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name3-[(2-methyloxolan-3-yl)amino]-1-morpholin-4-yl-2-phenylpropan-1-one
SMILESCC1OCCC1NCC(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C18H26N2O3/c1-14-17(7-10-23-14)19-13-16(15-5-3-2-4-6-15)18(21)20-8-11-22-12-9-20/h2-6,14,16-17,19H,7-13H2,1H3
InChIKeyCWLDCIIEARPQCI-UHFFFAOYSA-N
XLogP1.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-hydroxy-3-[(2-methyloxolan-3-yl)amino]-2-phenylpropanimidamide
CID 82728703
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
1-methyl-N-[(2R)-3-morpholin-4-yl-3-oxo-2-phenylpropyl]cyclopentane-1-carboxamide
CID 95183567
N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 86886437
3-methyl-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 86947783
1-[1-(2-methylpropyl)piperidin-4-yl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
CID 86886149
4-ethoxy-N'-methyl-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide
CID 111958495
2-(2,2-dimethylpropyl)-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)pyrrolidine-1-carboxamide
CID 86886423
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine
CID 111388216
1-morpholin-4-yl-2-phenyl-3-[(4-propan-2-ylphenyl)methylamino]propan-1-one
CID 86893294
(2S,3R)-N-[(2S)-2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-2-methyloxolan-3-amine
CID 100906281
1-butyl-2-methyl-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine
CID 111150938

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyloxolan-3-yl)amino]-1-morpholin-4-yl-2-phenylpropan-1-one?
The IUPAC name of 3-[(2-methyloxolan-3-yl)amino]-1-morpholin-4-yl-2-phenylpropan-1-one (CID 75441504) is 3-[(2-methyloxolan-3-yl)amino]-1-morpholin-4-yl-2-phenylpropan-1-one.
What is the SMILES notation for 3-[(2-methyloxolan-3-yl)amino]-1-morpholin-4-yl-2-phenylpropan-1-one?
The canonical SMILES for 3-[(2-methyloxolan-3-yl)amino]-1-morpholin-4-yl-2-phenylpropan-1-one is CC1OCCC1NCC(C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of 3-[(2-methyloxolan-3-yl)amino]-1-morpholin-4-yl-2-phenylpropan-1-one?
The InChIKey is CWLDCIIEARPQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14-17(7-10-23-14)19-13-16(15-5-3-2-4-6-15)18(21)20-8-11-22-12-9-20/h2-6,14,16-17,19H,7-13H2,1H3.
What are the key properties of 3-[(2-methyloxolan-3-yl)amino]-1-morpholin-4-yl-2-phenylpropan-1-one?
3-[(2-methyloxolan-3-yl)amino]-1-morpholin-4-yl-2-phenylpropan-1-one has a molecular weight of 318.42 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyloxolan-3-yl)amino]-1-morpholin-4-yl-2-phenylpropan-1-one is sourced from PubChem (CID 75441504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).