N-[2-[[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-2-oxoethyl]benzamide

C17H22N2O6 — CID 1211911

IUPACN-[2-[[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-2-oxoethyl]benzamide
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C17H22N2O6/c1-17(2)24-13-11(9-20)23-16(14(13)25-17)19-12(21)8-18-15(22)10-6-4-3-5-7-10/h3-7,11,13-14,16,20H,8-9H2,1-2H3,(H,18,22)(H,19,21)/t11-,13-,14-,16-/m1/s1
InChIKeyNLEWYPOZSHMZLC-XKVFNRALSA-N
MW350.37 g/mol
LogP-0.23
Rot. Bonds5

About N-[2-[[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-2-oxoethyl]benzamide

N-[2-[[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-2-oxoethyl]benzamide (PubChem CID 1211911) has the molecular formula C17H22N2O6 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-[2-[[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-2-oxoethyl]benzamide
PubChem CID1211911
Molecular FormulaC17H22N2O6
Molecular Weight350.37 g/mol
Exact Mass350.15
IUPAC NameN-[2-[[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-2-oxoethyl]benzamide
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2NC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C17H22N2O6/c1-17(2)24-13-11(9-20)23-16(14(13)25-17)19-12(21)8-18-15(22)10-6-4-3-5-7-10/h3-7,11,13-14,16,20H,8-9H2,1-2H3,(H,18,22)(H,19,21)/t11-,13-,14-,16-/m1/s1
InChIKeyNLEWYPOZSHMZLC-XKVFNRALSA-N
XLogP-0.23
TPSA106.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-2-oxoethyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-2-oxoethyl]benzamide (CID 1211911) is N-[2-[[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-2-oxoethyl]benzamide is CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2NC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is NLEWYPOZSHMZLC-XKVFNRALSA-N. The full InChI is InChI=1S/C17H22N2O6/c1-17(2)24-13-11(9-20)23-16(14(13)25-17)19-12(21)8-18-15(22)10-6-4-3-5-7-10/h3-7,11,13-14,16,20H,8-9H2,1-2H3,(H,18,22)(H,19,21)/t11-,13-,14-,16-/m1/s1.
What are the key properties of N-[2-[[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-2-oxoethyl]benzamide?
N-[2-[[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 350.37 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 1211911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).