(3aR,4S,6aS)-5-[2-(2-methoxyethoxy)acetyl]-2,2-dimethyl-N-pentan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide

C18H32N2O6 — CID 11199597

IUPAC(3aR,4S,6aS)-5-[2-(2-methoxyethoxy)acetyl]-2,2-dimethyl-N-pentan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide
SMILESCCCC(C)NC(=O)[C@@H]1[C@H]2OC(C)(C)O[C@H]2CN1C(=O)COCCOC
InChIInChI=1S/C18H32N2O6/c1-6-7-12(2)19-17(22)15-16-13(25-18(3,4)26-16)10-20(15)14(21)11-24-9-8-23-5/h12-13,15-16H,6-11H2,1-5H3,(H,19,22)/t12?,13-,15-,16-/m0/s1
InChIKeyAKXNXAJUQLUVIP-BCZYQMQZSA-N
MW372.46 g/mol
LogP0.69
Rot. Bonds9

About (3aR,4S,6aS)-5-[2-(2-methoxyethoxy)acetyl]-2,2-dimethyl-N-pentan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide

(3aR,4S,6aS)-5-[2-(2-methoxyethoxy)acetyl]-2,2-dimethyl-N-pentan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide (PubChem CID 11199597) has the molecular formula C18H32N2O6 and a molecular weight of 372.46 g/mol. Its IUPAC name is (3aR,4S,6aS)-5-[2-(2-methoxyethoxy)acetyl]-2,2-dimethyl-N-pentan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide.

Molecular Properties

Compound Name(3aR,4S,6aS)-5-[2-(2-methoxyethoxy)acetyl]-2,2-dimethyl-N-pentan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide
PubChem CID11199597
Molecular FormulaC18H32N2O6
Molecular Weight372.46 g/mol
Exact Mass372.23
IUPAC Name(3aR,4S,6aS)-5-[2-(2-methoxyethoxy)acetyl]-2,2-dimethyl-N-pentan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide
SMILESCCCC(C)NC(=O)[C@@H]1[C@H]2OC(C)(C)O[C@H]2CN1C(=O)COCCOC
InChIInChI=1S/C18H32N2O6/c1-6-7-12(2)19-17(22)15-16-13(25-18(3,4)26-16)10-20(15)14(21)11-24-9-8-23-5/h12-13,15-16H,6-11H2,1-5H3,(H,19,22)/t12?,13-,15-,16-/m0/s1
InChIKeyAKXNXAJUQLUVIP-BCZYQMQZSA-N
XLogP0.69
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3aR,4S,6aS)-5-[2-(2-methoxyethoxy)acetyl]-2,2-dimethyl-N-pentan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide?
The IUPAC name of (3aR,4S,6aS)-5-[2-(2-methoxyethoxy)acetyl]-2,2-dimethyl-N-pentan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide (CID 11199597) is (3aR,4S,6aS)-5-[2-(2-methoxyethoxy)acetyl]-2,2-dimethyl-N-pentan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide.
What is the SMILES notation for (3aR,4S,6aS)-5-[2-(2-methoxyethoxy)acetyl]-2,2-dimethyl-N-pentan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide?
The canonical SMILES for (3aR,4S,6aS)-5-[2-(2-methoxyethoxy)acetyl]-2,2-dimethyl-N-pentan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide is CCCC(C)NC(=O)[C@@H]1[C@H]2OC(C)(C)O[C@H]2CN1C(=O)COCCOC.
What is the InChIKey of (3aR,4S,6aS)-5-[2-(2-methoxyethoxy)acetyl]-2,2-dimethyl-N-pentan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide?
The InChIKey is AKXNXAJUQLUVIP-BCZYQMQZSA-N. The full InChI is InChI=1S/C18H32N2O6/c1-6-7-12(2)19-17(22)15-16-13(25-18(3,4)26-16)10-20(15)14(21)11-24-9-8-23-5/h12-13,15-16H,6-11H2,1-5H3,(H,19,22)/t12?,13-,15-,16-/m0/s1.
What are the key properties of (3aR,4S,6aS)-5-[2-(2-methoxyethoxy)acetyl]-2,2-dimethyl-N-pentan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide?
(3aR,4S,6aS)-5-[2-(2-methoxyethoxy)acetyl]-2,2-dimethyl-N-pentan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide has a molecular weight of 372.46 g/mol, XLogP of 0.69, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S,6aS)-5-[2-(2-methoxyethoxy)acetyl]-2,2-dimethyl-N-pentan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide is sourced from PubChem (CID 11199597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).