methyl 5-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pentanoate

C21H27NO4 — CID 56871644

IUPACmethyl 5-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pentanoate
SMILESCOC(=O)CCCCN1CCOC(c2ccc3cc(OC)ccc3c2)C1
InChIInChI=1S/C21H27NO4/c1-24-19-9-8-16-13-18(7-6-17(16)14-19)20-15-22(11-12-26-20)10-4-3-5-21(23)25-2/h6-9,13-14,20H,3-5,10-12,15H2,1-2H3
InChIKeyTZCYKAYFUHHMBR-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.57
Rot. Bonds7

About methyl 5-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pentanoate

methyl 5-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pentanoate (PubChem CID 56871644) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is methyl 5-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pentanoate.

Molecular Properties

Compound Namemethyl 5-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pentanoate
PubChem CID56871644
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Namemethyl 5-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pentanoate
SMILESCOC(=O)CCCCN1CCOC(c2ccc3cc(OC)ccc3c2)C1
InChIInChI=1S/C21H27NO4/c1-24-19-9-8-16-13-18(7-6-17(16)14-19)20-15-22(11-12-26-20)10-4-3-5-21(23)25-2/h6-9,13-14,20H,3-5,10-12,15H2,1-2H3
InChIKeyTZCYKAYFUHHMBR-UHFFFAOYSA-N
XLogP3.57
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]acetate
CID 95558883
methyl 2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]amino]acetate
CID 95551662
(2R)-2-(6-methoxynaphthalen-2-yl)-4-(3-pyrazol-1-ylpropyl)morpholine
CID 95403110
1-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 95556663
1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 95556664
methyl 3-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]propanoate
CID 95175743
1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione
CID 95562776
1-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione
CID 95562775
(2S)-2-(6-methoxynaphthalen-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine
CID 95545477
3-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propan-1-one;hydrochloride
CID 154892310
N-[3-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-oxopropyl]acetamide
CID 95549089
5-[[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 95562733

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pentanoate?
The IUPAC name of methyl 5-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pentanoate (CID 56871644) is methyl 5-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pentanoate.
What is the SMILES notation for methyl 5-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pentanoate?
The canonical SMILES for methyl 5-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pentanoate is COC(=O)CCCCN1CCOC(c2ccc3cc(OC)ccc3c2)C1.
What is the InChIKey of methyl 5-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pentanoate?
The InChIKey is TZCYKAYFUHHMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-24-19-9-8-16-13-18(7-6-17(16)14-19)20-15-22(11-12-26-20)10-4-3-5-21(23)25-2/h6-9,13-14,20H,3-5,10-12,15H2,1-2H3.
What are the key properties of methyl 5-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pentanoate?
methyl 5-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pentanoate has a molecular weight of 357.45 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pentanoate is sourced from PubChem (CID 56871644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).