3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-N,N-diphenylpropanamide

C27H33NO6 — CID 164889209

IUPAC3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-N,N-diphenylpropanamide
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@@H](CCC(=O)N(c1ccccc1)c1ccccc1)O[C@@H]2[C@H]1COC(C)(C)O1
InChIInChI=1S/C27H33NO6/c1-26(2)30-17-21(32-26)23-25-24(33-27(3,4)34-25)20(31-23)15-16-22(29)28(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20-21,23-25H,15-17H2,1-4H3/t20-,21-,23-,24-,25+/m1/s1
InChIKeyQMDGZPDFDHJZTA-BYWXWQNBSA-N
MW467.56 g/mol
LogP4.57
Rot. Bonds6

About 3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-N,N-diphenylpropanamide

3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-N,N-diphenylpropanamide (PubChem CID 164889209) has the molecular formula C27H33NO6 and a molecular weight of 467.56 g/mol. Its IUPAC name is 3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-N,N-diphenylpropanamide.

Molecular Properties

Compound Name3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-N,N-diphenylpropanamide
PubChem CID164889209
Molecular FormulaC27H33NO6
Molecular Weight467.56 g/mol
Exact Mass467.23
IUPAC Name3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-N,N-diphenylpropanamide
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@@H](CCC(=O)N(c1ccccc1)c1ccccc1)O[C@@H]2[C@H]1COC(C)(C)O1
InChIInChI=1S/C27H33NO6/c1-26(2)30-17-21(32-26)23-25-24(33-27(3,4)34-25)20(31-23)15-16-22(29)28(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20-21,23-25H,15-17H2,1-4H3/t20-,21-,23-,24-,25+/m1/s1
InChIKeyQMDGZPDFDHJZTA-BYWXWQNBSA-N
XLogP4.57
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.56
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-N,N-diphenylpropanamide with MolForge

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Related Compounds

3-((3aR,4R,6R,6aS)-6-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-N-phenylpropanamide
CID 164889179

Frequently Asked Questions

What is the IUPAC name of 3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-N,N-diphenylpropanamide?
The IUPAC name of 3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-N,N-diphenylpropanamide (CID 164889209) is 3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-N,N-diphenylpropanamide.
What is the SMILES notation for 3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-N,N-diphenylpropanamide?
The canonical SMILES for 3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-N,N-diphenylpropanamide is CC1(C)O[C@@H]2[C@H](O1)[C@@H](CCC(=O)N(c1ccccc1)c1ccccc1)O[C@@H]2[C@H]1COC(C)(C)O1.
What is the InChIKey of 3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-N,N-diphenylpropanamide?
The InChIKey is QMDGZPDFDHJZTA-BYWXWQNBSA-N. The full InChI is InChI=1S/C27H33NO6/c1-26(2)30-17-21(32-26)23-25-24(33-27(3,4)34-25)20(31-23)15-16-22(29)28(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,20-21,23-25H,15-17H2,1-4H3/t20-,21-,23-,24-,25+/m1/s1.
What are the key properties of 3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-N,N-diphenylpropanamide?
3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-N,N-diphenylpropanamide has a molecular weight of 467.56 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3aS,4R,6R,6aR)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-N,N-diphenylpropanamide is sourced from PubChem (CID 164889209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).