naphthalen-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate

C28H31NO5 — CID 139815956

IUPACnaphthalen-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate
SMILESCOc1ccc(C2CN(C(=O)OCc3ccc4ccccc4c3)CCO2)cc1OC1CCCC1
InChIInChI=1S/C28H31NO5/c1-31-25-13-12-23(17-26(25)34-24-8-4-5-9-24)27-18-29(14-15-32-27)28(30)33-19-20-10-11-21-6-2-3-7-22(21)16-20/h2-3,6-7,10-13,16-17,24,27H,4-5,8-9,14-15,18-19H2,1H3
InChIKeyRIKBMZRIOUNTKI-UHFFFAOYSA-N
MW461.56 g/mol
LogP5.88
Rot. Bonds6

About naphthalen-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate

naphthalen-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate (PubChem CID 139815956) has the molecular formula C28H31NO5 and a molecular weight of 461.56 g/mol. Its IUPAC name is naphthalen-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate.

Molecular Properties

Compound Namenaphthalen-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate
PubChem CID139815956
Molecular FormulaC28H31NO5
Molecular Weight461.56 g/mol
Exact Mass461.22
IUPAC Namenaphthalen-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate
SMILESCOc1ccc(C2CN(C(=O)OCc3ccc4ccccc4c3)CCO2)cc1OC1CCCC1
InChIInChI=1S/C28H31NO5/c1-31-25-13-12-23(17-26(25)34-24-8-4-5-9-24)27-18-29(14-15-32-27)28(30)33-19-20-10-11-21-6-2-3-7-22(21)16-20/h2-3,6-7,10-13,16-17,24,27H,4-5,8-9,14-15,18-19H2,1H3
InChIKeyRIKBMZRIOUNTKI-UHFFFAOYSA-N
XLogP5.88
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.56
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate
CID 139815952
cyclopentylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate
CID 139815942
2-(3-cyclohexyloxy-4-methoxyphenyl)morpholine-4-carbonyl chloride
CID 139815958
(3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 67015224
benzyl 2-(4-acetyl-3-fluorophenyl)morpholine-4-carboxylate
CID 157499451
tert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate
CID 11726110
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 10266977
benzyl 2-[(3R,4R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidin-1-yl]acetate
CID 142074544
(3R,4S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 54097599
ethylbenzene;methyl (3R,4R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidine-1-carboxylate
CID 142074393
methyl (3S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 58598219
2-(4-hydroxyphenyl)-1-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone
CID 95545231

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate?
The IUPAC name of naphthalen-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate (CID 139815956) is naphthalen-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate.
What is the SMILES notation for naphthalen-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate?
The canonical SMILES for naphthalen-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate is COc1ccc(C2CN(C(=O)OCc3ccc4ccccc4c3)CCO2)cc1OC1CCCC1.
What is the InChIKey of naphthalen-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate?
The InChIKey is RIKBMZRIOUNTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO5/c1-31-25-13-12-23(17-26(25)34-24-8-4-5-9-24)27-18-29(14-15-32-27)28(30)33-19-20-10-11-21-6-2-3-7-22(21)16-20/h2-3,6-7,10-13,16-17,24,27H,4-5,8-9,14-15,18-19H2,1H3.
What are the key properties of naphthalen-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate?
naphthalen-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate has a molecular weight of 461.56 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate is sourced from PubChem (CID 139815956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).