ethyl (2R,3R,4R)-4-(dimethylamino)-5-methoxy-2,3-bis(phenylmethoxy)pentanoate

C24H33NO5 — CID 135050682

IUPACethyl (2R,3R,4R)-4-(dimethylamino)-5-methoxy-2,3-bis(phenylmethoxy)pentanoate
SMILESCCOC(=O)[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COC)N(C)C
InChIInChI=1S/C24H33NO5/c1-5-28-24(26)23(30-17-20-14-10-7-11-15-20)22(21(18-27-4)25(2)3)29-16-19-12-8-6-9-13-19/h6-15,21-23H,5,16-18H2,1-4H3/t21-,22-,23-/m1/s1
InChIKeyBWBBZAAUTOBVTJ-DNVJHFABSA-N
MW415.53 g/mol
LogP3.30
Rot. Bonds13

About ethyl (2R,3R,4R)-4-(dimethylamino)-5-methoxy-2,3-bis(phenylmethoxy)pentanoate

ethyl (2R,3R,4R)-4-(dimethylamino)-5-methoxy-2,3-bis(phenylmethoxy)pentanoate (PubChem CID 135050682) has the molecular formula C24H33NO5 and a molecular weight of 415.53 g/mol. Its IUPAC name is ethyl (2R,3R,4R)-4-(dimethylamino)-5-methoxy-2,3-bis(phenylmethoxy)pentanoate.

Molecular Properties

Compound Nameethyl (2R,3R,4R)-4-(dimethylamino)-5-methoxy-2,3-bis(phenylmethoxy)pentanoate
PubChem CID135050682
Molecular FormulaC24H33NO5
Molecular Weight415.53 g/mol
Exact Mass415.24
IUPAC Nameethyl (2R,3R,4R)-4-(dimethylamino)-5-methoxy-2,3-bis(phenylmethoxy)pentanoate
SMILESCCOC(=O)[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COC)N(C)C
InChIInChI=1S/C24H33NO5/c1-5-28-24(26)23(30-17-20-14-10-7-11-15-20)22(21(18-27-4)25(2)3)29-16-19-12-8-6-9-13-19/h6-15,21-23H,5,16-18H2,1-4H3/t21-,22-,23-/m1/s1
InChIKeyBWBBZAAUTOBVTJ-DNVJHFABSA-N
XLogP3.30
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R,4R)-4-(dimethylamino)-5-methoxy-2,3-bis(phenylmethoxy)pentanoate?
The IUPAC name of ethyl (2R,3R,4R)-4-(dimethylamino)-5-methoxy-2,3-bis(phenylmethoxy)pentanoate (CID 135050682) is ethyl (2R,3R,4R)-4-(dimethylamino)-5-methoxy-2,3-bis(phenylmethoxy)pentanoate.
What is the SMILES notation for ethyl (2R,3R,4R)-4-(dimethylamino)-5-methoxy-2,3-bis(phenylmethoxy)pentanoate?
The canonical SMILES for ethyl (2R,3R,4R)-4-(dimethylamino)-5-methoxy-2,3-bis(phenylmethoxy)pentanoate is CCOC(=O)[C@H](OCc1ccccc1)[C@H](OCc1ccccc1)[C@@H](COC)N(C)C.
What is the InChIKey of ethyl (2R,3R,4R)-4-(dimethylamino)-5-methoxy-2,3-bis(phenylmethoxy)pentanoate?
The InChIKey is BWBBZAAUTOBVTJ-DNVJHFABSA-N. The full InChI is InChI=1S/C24H33NO5/c1-5-28-24(26)23(30-17-20-14-10-7-11-15-20)22(21(18-27-4)25(2)3)29-16-19-12-8-6-9-13-19/h6-15,21-23H,5,16-18H2,1-4H3/t21-,22-,23-/m1/s1.
What are the key properties of ethyl (2R,3R,4R)-4-(dimethylamino)-5-methoxy-2,3-bis(phenylmethoxy)pentanoate?
ethyl (2R,3R,4R)-4-(dimethylamino)-5-methoxy-2,3-bis(phenylmethoxy)pentanoate has a molecular weight of 415.53 g/mol, XLogP of 3.30, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R,4R)-4-(dimethylamino)-5-methoxy-2,3-bis(phenylmethoxy)pentanoate is sourced from PubChem (CID 135050682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).