2-(4-methylphenoxy)-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide

C19H26N2O3 — CID 91789516

IUPAC2-(4-methylphenoxy)-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
SMILESCc1ccc(OCC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCC2)cc1
InChIInChI=1S/C19H26N2O3/c1-13-4-6-14(7-5-13)24-12-16(22)20-17-15-8-11-23-19(15)18(17)21-9-2-3-10-21/h4-7,15,17-19H,2-3,8-12H2,1H3,(H,20,22)/t15-,17+,18-,19-/m1/s1
InChIKeyDTYGOAXFFOKGAS-QXCFHYIPSA-N
MW330.43 g/mol
LogP1.74
Rot. Bonds5

About 2-(4-methylphenoxy)-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide

2-(4-methylphenoxy)-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide (PubChem CID 91789516) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
PubChem CID91789516
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name2-(4-methylphenoxy)-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
SMILESCc1ccc(OCC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCC2)cc1
InChIInChI=1S/C19H26N2O3/c1-13-4-6-14(7-5-13)24-12-16(22)20-17-15-8-11-23-19(15)18(17)21-9-2-3-10-21/h4-7,15,17-19H,2-3,8-12H2,1H3,(H,20,22)/t15-,17+,18-,19-/m1/s1
InChIKeyDTYGOAXFFOKGAS-QXCFHYIPSA-N
XLogP1.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012632
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-1,2,4-triazole-5-carboxamide
CID 91774100
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94803257
2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119450091
N-(4-aminocyclohexyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119474987
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108557001
2-[4-(4-methylphenoxy)phenoxy]-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 56551157
2-(4-methylphenoxy)-N-[(3S)-2-oxopiperidin-3-yl]acetamide
CID 94801293
2-(4-methylphenoxy)-N-(2-methylpiperidin-3-yl)acetamide
CID 120576127
N'-[2-(4-methylphenoxy)acetyl]-1-pyrimidin-2-ylpiperidine-4-carbohydrazide
CID 3223132

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide (CID 91789516) is 2-(4-methylphenoxy)-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide is Cc1ccc(OCC(=O)N[C@H]2[C@H]3CCO[C@H]3[C@@H]2N2CCCC2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The InChIKey is DTYGOAXFFOKGAS-QXCFHYIPSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13-4-6-14(7-5-13)24-12-16(22)20-17-15-8-11-23-19(15)18(17)21-9-2-3-10-21/h4-7,15,17-19H,2-3,8-12H2,1H3,(H,20,22)/t15-,17+,18-,19-/m1/s1.
What are the key properties of 2-(4-methylphenoxy)-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
2-(4-methylphenoxy)-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide has a molecular weight of 330.43 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[(1R,5R,6S,7R)-7-pyrrolidin-1-yl-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide is sourced from PubChem (CID 91789516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).