2-(3-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide

C21H23NO4 — CID 112764855

IUPAC2-(3-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1
InChIInChI=1S/C21H23NO4/c1-14-6-5-7-17(12-14)24-15(2)20(23)22-16-8-9-18-19(13-16)26-21(25-18)10-3-4-11-21/h5-9,12-13,15H,3-4,10-11H2,1-2H3,(H,22,23)
InChIKeyUBXHRVRYAGMQMF-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.44
Rot. Bonds4

About 2-(3-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide

2-(3-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide (PubChem CID 112764855) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide
PubChem CID112764855
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name2-(3-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1
InChIInChI=1S/C21H23NO4/c1-14-6-5-7-17(12-14)24-15(2)20(23)22-16-8-9-18-19(13-16)26-21(25-18)10-3-4-11-21/h5-9,12-13,15H,3-4,10-11H2,1-2H3,(H,22,23)
InChIKeyUBXHRVRYAGMQMF-UHFFFAOYSA-N
XLogP4.44
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 26757566
3-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 26173901
(2R)-2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 7946484
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056
2-(2-cyanophenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
CID 46597519
(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide
CID 2231697
(2S)-N-(3,5-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2168120
(2S)-2-(3-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771480
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(3-methylphenoxy)propanamide
CID 18093093
2-(3-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3937440
(2S)-2-(3-methylphenoxy)-N-[4-(4-methylphenoxy)phenyl]propanamide
CID 7925185
N,N-dimethyl-4-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzamide
CID 8698425

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide (CID 112764855) is 2-(3-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide is Cc1cccc(OC(C)C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide?
The InChIKey is UBXHRVRYAGMQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-14-6-5-7-17(12-14)24-15(2)20(23)22-16-8-9-18-19(13-16)26-21(25-18)10-3-4-11-21/h5-9,12-13,15H,3-4,10-11H2,1-2H3,(H,22,23).
What are the key properties of 2-(3-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide?
2-(3-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide has a molecular weight of 353.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpropanamide is sourced from PubChem (CID 112764855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).