2-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide

C19H28N2O4 — CID 129484481

IUPAC2-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CN2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c1
InChIInChI=1S/C19H28N2O4/c1-24-15-5-2-4-14(10-15)11-20-19(23)12-21-8-9-25-13-17(21)16-6-3-7-18(16)22/h2,4-5,10,16-18,22H,3,6-9,11-13H2,1H3,(H,20,23)/t16-,17-,18-/m1/s1
InChIKeyRYOGZPLLRCQKGP-KZNAEPCWSA-N
MW348.44 g/mol
LogP1.17
Rot. Bonds6

About 2-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide

2-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 129484481) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID129484481
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name2-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CN2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c1
InChIInChI=1S/C19H28N2O4/c1-24-15-5-2-4-14(10-15)11-20-19(23)12-21-8-9-25-13-17(21)16-6-3-7-18(16)22/h2,4-5,10,16-18,22H,3,6-9,11-13H2,1H3,(H,20,23)/t16-,17-,18-/m1/s1
InChIKeyRYOGZPLLRCQKGP-KZNAEPCWSA-N
XLogP1.17
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

trans-(1R,2S)-2-[(3S)-4-[2-(3-methoxyphenoxy)ethyl]morpholin-3-yl]cyclopentan-1-ol
CID 129484070
N-[(2-fluorophenyl)methyl]-2-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]acetamide
CID 129483919
2-(4-fluoropiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 171701324
2-[4-[[3-(methoxymethyl)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
CID 128982447
N-benzyl-2-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-N-methylacetamide
CID 129484311
2-(4-aminopiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119907160
N-[(3-methoxyphenyl)methyl]-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 119922266
N-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47111335
2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 62062896
2-[4-[[4-(2-methoxyethoxy)phenyl]methyl]morpholin-3-yl]cyclopentan-1-ol
CID 167967294
N-[(3-methoxyphenyl)methyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921834

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide (CID 129484481) is 2-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CN2CCOC[C@@H]2[C@H]2CCC[C@H]2O)c1.
What is the InChIKey of 2-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is RYOGZPLLRCQKGP-KZNAEPCWSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-24-15-5-2-4-14(10-15)11-20-19(23)12-21-8-9-25-13-17(21)16-6-3-7-18(16)22/h2,4-5,10,16-18,22H,3,6-9,11-13H2,1H3,(H,20,23)/t16-,17-,18-/m1/s1.
What are the key properties of 2-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
2-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 348.44 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[(1R,2R)-2-hydroxycyclopentyl]morpholin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 129484481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).