(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone

C19H25NO4 — CID 45233807

IUPAC(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone
SMILESCC1=C(C(=O)N2CCOC(CCCc3ccccc3)C2)OCCO1
InChIInChI=1S/C19H25NO4/c1-15-18(24-13-12-22-15)19(21)20-10-11-23-17(14-20)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-14H2,1H3
InChIKeyVPUZBVZAMAIRPO-UHFFFAOYSA-N
MW331.41 g/mol
LogP2.52
Rot. Bonds5

About (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone

(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone (PubChem CID 45233807) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone
PubChem CID45233807
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone
SMILESCC1=C(C(=O)N2CCOC(CCCc3ccccc3)C2)OCCO1
InChIInChI=1S/C19H25NO4/c1-15-18(24-13-12-22-15)19(21)20-10-11-23-17(14-20)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-14H2,1H3
InChIKeyVPUZBVZAMAIRPO-UHFFFAOYSA-N
XLogP2.52
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Morpholine, 4-(5-(4,5-dimethoxy-3,6-dioxo-2-methyl-1,4-cyclohexadien-1-yl)-1-oxo-5-phenylpentyl)-
CID 3086755
Ethyl 1-[(3-methyl-5,6-dihydro-1,4-dioxin-2-yl)carbonyl]-4-(2-phenylethyl)-4-piperidinecarboxylate
CID 16190785
Ethyl 1-[(3-methyl-5,6-dihydro-1,4-dioxin-2-yl)carbonyl]-4-(3-phenylpropyl)piperidine-4-carboxylate
CID 16190930
4-[(3-Methyl-5,6-dihydro-1,4-dioxin-2-yl)carbonyl]-2-[3-(trifluoromethyl)benzyl]morpholine
CID 45190269
1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]ethanone
CID 25379715
N-({1-[2-(4-fluorophenyl)ethyl]-4-piperidinyl}methyl)-N,3-dimethyl-5,6-dihydro-1,4-dioxine-2-carboxamide
CID 25381855
1,4-Dioxan-2-yl-[3-hydroxy-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 126841753
(3S*,4R*)-3-benzyl-1-[(2-methoxyethoxy)acetyl]-4-methylpiperidin-4-ol
CID 133138344
(E)-3-(4,5-dimethoxycyclohexa-1,3-dien-1-yl)-3-(4-fluorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 163552817
(5s,2z)-5-Benzyl-2-benzylidene-4-(t-butoxy)morpholin-3-one
CID 129710493
6-[(2S)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one
CID 26321313
6-[(2R)-2-[(3-fluorophenyl)methyl]morpholine-4-carbonyl]-2,2-dimethyl-3H-pyran-4-one
CID 26321315

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone?
The IUPAC name of (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone (CID 45233807) is (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone.
What is the SMILES notation for (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone?
The canonical SMILES for (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone is CC1=C(C(=O)N2CCOC(CCCc3ccccc3)C2)OCCO1.
What is the InChIKey of (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone?
The InChIKey is VPUZBVZAMAIRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-15-18(24-13-12-22-15)19(21)20-10-11-23-17(14-20)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-14H2,1H3.
What are the key properties of (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone?
(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone has a molecular weight of 331.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2,3-dihydro-1,4-dioxin-5-yl)-[2-(3-phenylpropyl)morpholin-4-yl]methanone is sourced from PubChem (CID 45233807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).