(3,4-dipropoxyphenyl)-[(3S)-3-methylmorpholin-4-yl]methanone

C18H27NO4 — CID 51938117

IUPAC(3,4-dipropoxyphenyl)-[(3S)-3-methylmorpholin-4-yl]methanone
SMILESCCCOc1ccc(C(=O)N2CCOC[C@@H]2C)cc1OCCC
InChIInChI=1S/C18H27NO4/c1-4-9-22-16-7-6-15(12-17(16)23-10-5-2)18(20)19-8-11-21-13-14(19)3/h6-7,12,14H,4-5,8-11,13H2,1-3H3/t14-/m0/s1
InChIKeyTYLOMFFCUYAPMH-AWEZNQCLSA-N
MW321.42 g/mol
LogP3.13
Rot. Bonds7

About (3,4-dipropoxyphenyl)-[(3S)-3-methylmorpholin-4-yl]methanone

(3,4-dipropoxyphenyl)-[(3S)-3-methylmorpholin-4-yl]methanone (PubChem CID 51938117) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is (3,4-dipropoxyphenyl)-[(3S)-3-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(3,4-dipropoxyphenyl)-[(3S)-3-methylmorpholin-4-yl]methanone
PubChem CID51938117
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name(3,4-dipropoxyphenyl)-[(3S)-3-methylmorpholin-4-yl]methanone
SMILESCCCOc1ccc(C(=O)N2CCOC[C@@H]2C)cc1OCCC
InChIInChI=1S/C18H27NO4/c1-4-9-22-16-7-6-15(12-17(16)23-10-5-2)18(20)19-8-11-21-13-14(19)3/h6-7,12,14H,4-5,8-11,13H2,1-3H3/t14-/m0/s1
InChIKeyTYLOMFFCUYAPMH-AWEZNQCLSA-N
XLogP3.13
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,4-dipropoxyphenyl)-[(3S)-3-methylmorpholin-4-yl]methanone?
The IUPAC name of (3,4-dipropoxyphenyl)-[(3S)-3-methylmorpholin-4-yl]methanone (CID 51938117) is (3,4-dipropoxyphenyl)-[(3S)-3-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (3,4-dipropoxyphenyl)-[(3S)-3-methylmorpholin-4-yl]methanone?
The canonical SMILES for (3,4-dipropoxyphenyl)-[(3S)-3-methylmorpholin-4-yl]methanone is CCCOc1ccc(C(=O)N2CCOC[C@@H]2C)cc1OCCC.
What is the InChIKey of (3,4-dipropoxyphenyl)-[(3S)-3-methylmorpholin-4-yl]methanone?
The InChIKey is TYLOMFFCUYAPMH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27NO4/c1-4-9-22-16-7-6-15(12-17(16)23-10-5-2)18(20)19-8-11-21-13-14(19)3/h6-7,12,14H,4-5,8-11,13H2,1-3H3/t14-/m0/s1.
What are the key properties of (3,4-dipropoxyphenyl)-[(3S)-3-methylmorpholin-4-yl]methanone?
(3,4-dipropoxyphenyl)-[(3S)-3-methylmorpholin-4-yl]methanone has a molecular weight of 321.42 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dipropoxyphenyl)-[(3S)-3-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 51938117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).