(6aS)-N-[2,4-dimethyl-4-(methylamino)hexan-2-yl]-N,2,2-trimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide

C18H33N3O4 — CID 170314770

IUPAC(6aS)-N-[2,4-dimethyl-4-(methylamino)hexan-2-yl]-N,2,2-trimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide
SMILESCCC(C)(CC(C)(C)N(C)C(=O)C1NC(=O)C2OC(C)(C)O[C@@H]12)NC
InChIInChI=1S/C18H33N3O4/c1-9-18(6,19-7)10-16(2,3)21(8)15(23)11-12-13(14(22)20-11)25-17(4,5)24-12/h11-13,19H,9-10H2,1-8H3,(H,20,22)/t11?,12-,13?,18?/m0/s1
InChIKeyVIEPJYNCDGDWKY-UCASBVRLSA-N
MW355.48 g/mol
LogP1.02
Rot. Bonds6

About (6aS)-N-[2,4-dimethyl-4-(methylamino)hexan-2-yl]-N,2,2-trimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide

(6aS)-N-[2,4-dimethyl-4-(methylamino)hexan-2-yl]-N,2,2-trimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide (PubChem CID 170314770) has the molecular formula C18H33N3O4 and a molecular weight of 355.48 g/mol. Its IUPAC name is (6aS)-N-[2,4-dimethyl-4-(methylamino)hexan-2-yl]-N,2,2-trimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide.

Molecular Properties

Compound Name(6aS)-N-[2,4-dimethyl-4-(methylamino)hexan-2-yl]-N,2,2-trimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide
PubChem CID170314770
Molecular FormulaC18H33N3O4
Molecular Weight355.48 g/mol
Exact Mass355.25
IUPAC Name(6aS)-N-[2,4-dimethyl-4-(methylamino)hexan-2-yl]-N,2,2-trimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide
SMILESCCC(C)(CC(C)(C)N(C)C(=O)C1NC(=O)C2OC(C)(C)O[C@@H]12)NC
InChIInChI=1S/C18H33N3O4/c1-9-18(6,19-7)10-16(2,3)21(8)15(23)11-12-13(14(22)20-11)25-17(4,5)24-12/h11-13,19H,9-10H2,1-8H3,(H,20,22)/t11?,12-,13?,18?/m0/s1
InChIKeyVIEPJYNCDGDWKY-UCASBVRLSA-N
XLogP1.02
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6aS)-N-[2,4-dimethyl-4-(methylamino)hexan-2-yl]-N,2,2-trimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6aS)-N-[2,4-dimethyl-4-(methylamino)hexan-2-yl]-N,2,2-trimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide?
The IUPAC name of (6aS)-N-[2,4-dimethyl-4-(methylamino)hexan-2-yl]-N,2,2-trimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide (CID 170314770) is (6aS)-N-[2,4-dimethyl-4-(methylamino)hexan-2-yl]-N,2,2-trimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide.
What is the SMILES notation for (6aS)-N-[2,4-dimethyl-4-(methylamino)hexan-2-yl]-N,2,2-trimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide?
The canonical SMILES for (6aS)-N-[2,4-dimethyl-4-(methylamino)hexan-2-yl]-N,2,2-trimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide is CCC(C)(CC(C)(C)N(C)C(=O)C1NC(=O)C2OC(C)(C)O[C@@H]12)NC.
What is the InChIKey of (6aS)-N-[2,4-dimethyl-4-(methylamino)hexan-2-yl]-N,2,2-trimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide?
The InChIKey is VIEPJYNCDGDWKY-UCASBVRLSA-N. The full InChI is InChI=1S/C18H33N3O4/c1-9-18(6,19-7)10-16(2,3)21(8)15(23)11-12-13(14(22)20-11)25-17(4,5)24-12/h11-13,19H,9-10H2,1-8H3,(H,20,22)/t11?,12-,13?,18?/m0/s1.
What are the key properties of (6aS)-N-[2,4-dimethyl-4-(methylamino)hexan-2-yl]-N,2,2-trimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide?
(6aS)-N-[2,4-dimethyl-4-(methylamino)hexan-2-yl]-N,2,2-trimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS)-N-[2,4-dimethyl-4-(methylamino)hexan-2-yl]-N,2,2-trimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide is sourced from PubChem (CID 170314770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).