N-[[(3aR,5R,6S,7S,7aR)-6,7-diacetamido-2-phenyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl]acetamide

C19H25N3O6 — CID 134878343

IUPACN-[[(3aR,5R,6S,7S,7aR)-6,7-diacetamido-2-phenyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1O[C@@H]2OC(c3ccccc3)O[C@@H]2[C@@H](NC(C)=O)[C@@H]1NC(C)=O
InChIInChI=1S/C19H25N3O6/c1-10(23)20-9-14-15(21-11(2)24)16(22-12(3)25)17-19(26-14)28-18(27-17)13-7-5-4-6-8-13/h4-8,14-19H,9H2,1-3H3,(H,20,23)(H,21,24)(H,22,25)/t14-,15-,16+,17-,18?,19-/m1/s1
InChIKeyOPAUDMAGPCGWRT-HFHYLLLSSA-N
MW391.42 g/mol
LogP-0.03
Rot. Bonds5

About N-[[(3aR,5R,6S,7S,7aR)-6,7-diacetamido-2-phenyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl]acetamide

N-[[(3aR,5R,6S,7S,7aR)-6,7-diacetamido-2-phenyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl]acetamide (PubChem CID 134878343) has the molecular formula C19H25N3O6 and a molecular weight of 391.42 g/mol. Its IUPAC name is N-[[(3aR,5R,6S,7S,7aR)-6,7-diacetamido-2-phenyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3aR,5R,6S,7S,7aR)-6,7-diacetamido-2-phenyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl]acetamide
PubChem CID134878343
Molecular FormulaC19H25N3O6
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC NameN-[[(3aR,5R,6S,7S,7aR)-6,7-diacetamido-2-phenyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1O[C@@H]2OC(c3ccccc3)O[C@@H]2[C@@H](NC(C)=O)[C@@H]1NC(C)=O
InChIInChI=1S/C19H25N3O6/c1-10(23)20-9-14-15(21-11(2)24)16(22-12(3)25)17-19(26-14)28-18(27-17)13-7-5-4-6-8-13/h4-8,14-19H,9H2,1-3H3,(H,20,23)(H,21,24)(H,22,25)/t14-,15-,16+,17-,18?,19-/m1/s1
InChIKeyOPAUDMAGPCGWRT-HFHYLLLSSA-N
XLogP-0.03
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[(3aR,5R,6S,7S,7aR)-6,7-diacetamido-2-phenyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[(2R,3R,4S,5R,6R)-3,4,5-triacetamido-6-hydroxyoxan-2-yl]methyl]acetamide
CID 7761458
[(2S,3aR,5R,6R,7S,7aR)-6,7-diacetyloxy-2-phenyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate
CID 54155498
[(4aR,6S,7S,8S,8aR)-6-(acetamidomethyl)-7-methylsulfonyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate
CID 10072094
4,11-diphenyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-9-carboxylic acid
CID 166083279
N-[(2S,4aS,6R,7R,8S,8aR)-6-hexadecoxy-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 95371837
N-[(2S,4aS,6S,7R,8S,8aR)-6-[4-[(2S)-butan-2-yl]phenoxy]-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 51476642
N-[(2S,4aR,6S,7R,8S,8aR)-6-[4-[(2S)-butan-2-yl]phenoxy]-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 124727937
N-[6-(4-butan-2-ylphenoxy)-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 4912951
N-[(2S,4aR,6S,7S,8R,8aR)-6-[4-[(2S)-butan-2-yl]phenoxy]-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 98423723
N-[(2S,4aR,6S,7S,8S,8aR)-8-hydroxy-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 7223160
N-(8-hydroxy-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)acetamide
CID 4914413
(3aS,5R,6R,6aS)-6-methoxy-5-(methoxymethyl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 102504528

Frequently Asked Questions

What is the IUPAC name of N-[[(3aR,5R,6S,7S,7aR)-6,7-diacetamido-2-phenyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl]acetamide?
The IUPAC name of N-[[(3aR,5R,6S,7S,7aR)-6,7-diacetamido-2-phenyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl]acetamide (CID 134878343) is N-[[(3aR,5R,6S,7S,7aR)-6,7-diacetamido-2-phenyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3aR,5R,6S,7S,7aR)-6,7-diacetamido-2-phenyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(3aR,5R,6S,7S,7aR)-6,7-diacetamido-2-phenyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl]acetamide is CC(=O)NC[C@H]1O[C@@H]2OC(c3ccccc3)O[C@@H]2[C@@H](NC(C)=O)[C@@H]1NC(C)=O.
What is the InChIKey of N-[[(3aR,5R,6S,7S,7aR)-6,7-diacetamido-2-phenyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl]acetamide?
The InChIKey is OPAUDMAGPCGWRT-HFHYLLLSSA-N. The full InChI is InChI=1S/C19H25N3O6/c1-10(23)20-9-14-15(21-11(2)24)16(22-12(3)25)17-19(26-14)28-18(27-17)13-7-5-4-6-8-13/h4-8,14-19H,9H2,1-3H3,(H,20,23)(H,21,24)(H,22,25)/t14-,15-,16+,17-,18?,19-/m1/s1.
What are the key properties of N-[[(3aR,5R,6S,7S,7aR)-6,7-diacetamido-2-phenyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl]acetamide?
N-[[(3aR,5R,6S,7S,7aR)-6,7-diacetamido-2-phenyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl]acetamide has a molecular weight of 391.42 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aR,5R,6S,7S,7aR)-6,7-diacetamido-2-phenyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl]acetamide is sourced from PubChem (CID 134878343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).