cyclopentylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate

C23H33NO5 — CID 139815942

IUPACcyclopentylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate
SMILESCOc1ccc(C2CN(C(=O)OCC3CCCC3)CCO2)cc1OC1CCCC1
InChIInChI=1S/C23H33NO5/c1-26-20-11-10-18(14-21(20)29-19-8-4-5-9-19)22-15-24(12-13-27-22)23(25)28-16-17-6-2-3-7-17/h10-11,14,17,19,22H,2-9,12-13,15-16H2,1H3
InChIKeyCZIAZSHSGCZVDA-UHFFFAOYSA-N
MW403.52 g/mol
LogP4.72
Rot. Bonds6

About cyclopentylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate

cyclopentylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate (PubChem CID 139815942) has the molecular formula C23H33NO5 and a molecular weight of 403.52 g/mol. Its IUPAC name is cyclopentylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate.

Molecular Properties

Compound Namecyclopentylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate
PubChem CID139815942
Molecular FormulaC23H33NO5
Molecular Weight403.52 g/mol
Exact Mass403.24
IUPAC Namecyclopentylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate
SMILESCOc1ccc(C2CN(C(=O)OCC3CCCC3)CCO2)cc1OC1CCCC1
InChIInChI=1S/C23H33NO5/c1-26-20-11-10-18(14-21(20)29-19-8-4-5-9-19)22-15-24(12-13-27-22)23(25)28-16-17-6-2-3-7-17/h10-11,14,17,19,22H,2-9,12-13,15-16H2,1H3
InChIKeyCZIAZSHSGCZVDA-UHFFFAOYSA-N
XLogP4.72
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

naphthalen-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate
CID 139815956
pyridin-2-ylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate
CID 139815952
2-(3-cyclohexyloxy-4-methoxyphenyl)morpholine-4-carbonyl chloride
CID 139815958
tert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate
CID 11726110
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 10266977
(3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 67015224
(3R,4S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 54097599
methyl (3S)-1-carbamoyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 58598219
2-cyclopentyl-1-[(2S)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]ethanone
CID 124987741
methyl (3R,4S)-3-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carboxylate
CID 54485183
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine-1-carbaldehyde
CID 11778917
4-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzamide
CID 10046158

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate?
The IUPAC name of cyclopentylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate (CID 139815942) is cyclopentylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate.
What is the SMILES notation for cyclopentylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate?
The canonical SMILES for cyclopentylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate is COc1ccc(C2CN(C(=O)OCC3CCCC3)CCO2)cc1OC1CCCC1.
What is the InChIKey of cyclopentylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate?
The InChIKey is CZIAZSHSGCZVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO5/c1-26-20-11-10-18(14-21(20)29-19-8-4-5-9-19)22-15-24(12-13-27-22)23(25)28-16-17-6-2-3-7-17/h10-11,14,17,19,22H,2-9,12-13,15-16H2,1H3.
What are the key properties of cyclopentylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate?
cyclopentylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate has a molecular weight of 403.52 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)morpholine-4-carboxylate is sourced from PubChem (CID 139815942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).