1-(dimethylamino)butan-2-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate

C19H29NO3 — CID 71192200

IUPAC1-(dimethylamino)butan-2-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate
SMILESCCC(CN(C)C)OC(=O)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C19H29NO3/c1-4-17(14-20(2)3)23-18(21)19(22,16-12-8-9-13-16)15-10-6-5-7-11-15/h5-7,10-11,16-17,22H,4,8-9,12-14H2,1-3H3
InChIKeyPVHVQHHDVUSFAS-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.95
Rot. Bonds7

About 1-(dimethylamino)butan-2-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate

1-(dimethylamino)butan-2-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate (PubChem CID 71192200) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-(dimethylamino)butan-2-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name1-(dimethylamino)butan-2-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate
PubChem CID71192200
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name1-(dimethylamino)butan-2-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate
SMILESCCC(CN(C)C)OC(=O)C(O)(c1ccccc1)C1CCCC1
InChIInChI=1S/C19H29NO3/c1-4-17(14-20(2)3)23-18(21)19(22,16-12-8-9-13-16)15-10-6-5-7-11-15/h5-7,10-11,16-17,22H,4,8-9,12-14H2,1-3H3
InChIKeyPVHVQHHDVUSFAS-UHFFFAOYSA-N
XLogP2.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 14710070
4-(dimethylamino)but-2-ynyl (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 15516893
methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
CID 23323992
2-hydroxyethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 70868092
but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 20689589
4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 4634
azane;4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 69112346
3-azabicyclo[3.2.1]octan-8-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 11602361
4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate;ethanol
CID 22348527
3-[(2R)-2-cyclohexyl-2-hydroxy-2-phenylacetyl]oxypropyl-triethylazanium
CID 7377908
ethyl 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate
CID 68952925
[5-[[cyclohexyl(methyl)amino]methyl]furan-2-yl]methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 10094739

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)butan-2-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate?
The IUPAC name of 1-(dimethylamino)butan-2-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate (CID 71192200) is 1-(dimethylamino)butan-2-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate.
What is the SMILES notation for 1-(dimethylamino)butan-2-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate?
The canonical SMILES for 1-(dimethylamino)butan-2-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate is CCC(CN(C)C)OC(=O)C(O)(c1ccccc1)C1CCCC1.
What is the InChIKey of 1-(dimethylamino)butan-2-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate?
The InChIKey is PVHVQHHDVUSFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-4-17(14-20(2)3)23-18(21)19(22,16-12-8-9-13-16)15-10-6-5-7-11-15/h5-7,10-11,16-17,22H,4,8-9,12-14H2,1-3H3.
What are the key properties of 1-(dimethylamino)butan-2-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate?
1-(dimethylamino)butan-2-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate has a molecular weight of 319.45 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)butan-2-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 71192200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).