(2R)-2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-2-phenylmethoxyacetamide

C18H27NO4 — CID 134874797

IUPAC(2R)-2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-2-phenylmethoxyacetamide
SMILESCCC1(CC)OC[C@H]([C@@H](OCc2ccccc2)C(=O)N(C)C)O1
InChIInChI=1S/C18H27NO4/c1-5-18(6-2)22-13-15(23-18)16(17(20)19(3)4)21-12-14-10-8-7-9-11-14/h7-11,15-16H,5-6,12-13H2,1-4H3/t15-,16-/m1/s1
InChIKeyKZRZDELECOVGKJ-HZPDHXFCSA-N
MW321.42 g/mol
LogP2.59
Rot. Bonds7

About (2R)-2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-2-phenylmethoxyacetamide

(2R)-2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-2-phenylmethoxyacetamide (PubChem CID 134874797) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is (2R)-2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-2-phenylmethoxyacetamide.

Molecular Properties

Compound Name(2R)-2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-2-phenylmethoxyacetamide
PubChem CID134874797
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name(2R)-2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-2-phenylmethoxyacetamide
SMILESCCC1(CC)OC[C@H]([C@@H](OCc2ccccc2)C(=O)N(C)C)O1
InChIInChI=1S/C18H27NO4/c1-5-18(6-2)22-13-15(23-18)16(17(20)19(3)4)21-12-14-10-8-7-9-11-14/h7-11,15-16H,5-6,12-13H2,1-4H3/t15-,16-/m1/s1
InChIKeyKZRZDELECOVGKJ-HZPDHXFCSA-N
XLogP2.59
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-2-phenylmethoxyacetamide?
The IUPAC name of (2R)-2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-2-phenylmethoxyacetamide (CID 134874797) is (2R)-2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-2-phenylmethoxyacetamide.
What is the SMILES notation for (2R)-2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-2-phenylmethoxyacetamide?
The canonical SMILES for (2R)-2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-2-phenylmethoxyacetamide is CCC1(CC)OC[C@H]([C@@H](OCc2ccccc2)C(=O)N(C)C)O1.
What is the InChIKey of (2R)-2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-2-phenylmethoxyacetamide?
The InChIKey is KZRZDELECOVGKJ-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H27NO4/c1-5-18(6-2)22-13-15(23-18)16(17(20)19(3)4)21-12-14-10-8-7-9-11-14/h7-11,15-16H,5-6,12-13H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of (2R)-2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-2-phenylmethoxyacetamide?
(2R)-2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-2-phenylmethoxyacetamide has a molecular weight of 321.42 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-N,N-dimethyl-2-phenylmethoxyacetamide is sourced from PubChem (CID 134874797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).