2-(diethylamino)-N-[(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]acetamide

C21H32N2O5 — CID 22670346

IUPAC2-(diethylamino)-N-[(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]acetamide
SMILESCCN(CC)CC(=O)NCC1OC2OC(C)(C)OC2C1OCc1ccccc1
InChIInChI=1S/C21H32N2O5/c1-5-23(6-2)13-17(24)22-12-16-18(25-14-15-10-8-7-9-11-15)19-20(26-16)28-21(3,4)27-19/h7-11,16,18-20H,5-6,12-14H2,1-4H3,(H,22,24)
InChIKeyRMJNZECGHIWHDF-UHFFFAOYSA-N
MW392.50 g/mol
LogP1.91
Rot. Bonds9

About 2-(diethylamino)-N-[(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]acetamide

2-(diethylamino)-N-[(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]acetamide (PubChem CID 22670346) has the molecular formula C21H32N2O5 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-(diethylamino)-N-[(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]acetamide
PubChem CID22670346
Molecular FormulaC21H32N2O5
Molecular Weight392.50 g/mol
Exact Mass392.23
IUPAC Name2-(diethylamino)-N-[(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]acetamide
SMILESCCN(CC)CC(=O)NCC1OC2OC(C)(C)OC2C1OCc1ccccc1
InChIInChI=1S/C21H32N2O5/c1-5-23(6-2)13-17(24)22-12-16-18(25-14-15-10-8-7-9-11-15)19-20(26-16)28-21(3,4)27-19/h7-11,16,18-20H,5-6,12-14H2,1-4H3,(H,22,24)
InChIKeyRMJNZECGHIWHDF-UHFFFAOYSA-N
XLogP1.91
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]acetamide (CID 22670346) is 2-(diethylamino)-N-[(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]acetamide is CCN(CC)CC(=O)NCC1OC2OC(C)(C)OC2C1OCc1ccccc1.
What is the InChIKey of 2-(diethylamino)-N-[(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]acetamide?
The InChIKey is RMJNZECGHIWHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O5/c1-5-23(6-2)13-17(24)22-12-16-18(25-14-15-10-8-7-9-11-15)19-20(26-16)28-21(3,4)27-19/h7-11,16,18-20H,5-6,12-14H2,1-4H3,(H,22,24).
What are the key properties of 2-(diethylamino)-N-[(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]acetamide?
2-(diethylamino)-N-[(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]acetamide has a molecular weight of 392.50 g/mol, XLogP of 1.91, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[(2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]acetamide is sourced from PubChem (CID 22670346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).