2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate

C17H25NO3 — CID 2905

💊View drug profile → cyclopentolate
IUPAC2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate
SMILESCN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1
InChIInChI=1S/C17H25NO3/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3
InChIKeySKYSRIRYMSLOIN-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.18
Rot. Bonds6

About 2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate

2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate (PubChem CID 2905) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate
PubChem CID2905
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate
SMILESCN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1
InChIInChI=1S/C17H25NO3/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3
InChIKeySKYSRIRYMSLOIN-UHFFFAOYSA-N
XLogP2.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Carbetapentane
CID 2562
Adiphenine
CID 2031
Cyclopentolate Hydrochloride
CID 22162
Carbetapentane Citrate
CID 90010
Adiphenine Hydrochloride
CID 5763
Caramiphen
CID 6472
Drofenine
CID 3166
Butamirate
CID 28892
Butetamate
CID 27368
Valethamate Bromide
CID 7010
Drofenine hydrochloride
CID 92806
Butamirate Citrate
CID 28891

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate?
The IUPAC name of 2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate (CID 2905) is 2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate is CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1.
What is the InChIKey of 2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate?
The InChIKey is SKYSRIRYMSLOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate?
2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate has a molecular weight of 291.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-(1-hydroxycyclopentyl)-2-phenylacetate is sourced from PubChem (CID 2905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).