N-[[(3aS,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamoyl]-3-methoxyprop-2-enamide

C18H30N2O6 — CID 68604026

IUPACN-[[(3aS,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamoyl]-3-methoxyprop-2-enamide
SMILESCOC=CC(=O)NC(=O)N[C@@H]1C[C@H](COC(C)(C)C)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C18H30N2O6/c1-17(2,3)24-10-11-9-12(15-14(11)25-18(4,5)26-15)19-16(22)20-13(21)7-8-23-6/h7-8,11-12,14-15H,9-10H2,1-6H3,(H2,19,20,21,22)/t11-,12-,14-,15+/m1/s1
InChIKeyODMCIQPDJIYHKG-GBOPCIDUSA-N
MW370.45 g/mol
LogP1.70
Rot. Bonds5

About N-[[(3aS,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamoyl]-3-methoxyprop-2-enamide

N-[[(3aS,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamoyl]-3-methoxyprop-2-enamide (PubChem CID 68604026) has the molecular formula C18H30N2O6 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[[(3aS,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamoyl]-3-methoxyprop-2-enamide.

Molecular Properties

Compound NameN-[[(3aS,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamoyl]-3-methoxyprop-2-enamide
PubChem CID68604026
Molecular FormulaC18H30N2O6
Molecular Weight370.45 g/mol
Exact Mass370.21
IUPAC NameN-[[(3aS,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamoyl]-3-methoxyprop-2-enamide
SMILESCOC=CC(=O)NC(=O)N[C@@H]1C[C@H](COC(C)(C)C)[C@H]2OC(C)(C)O[C@H]21
InChIInChI=1S/C18H30N2O6/c1-17(2,3)24-10-11-9-12(15-14(11)25-18(4,5)26-15)19-16(22)20-13(21)7-8-23-6/h7-8,11-12,14-15H,9-10H2,1-6H3,(H2,19,20,21,22)/t11-,12-,14-,15+/m1/s1
InChIKeyODMCIQPDJIYHKG-GBOPCIDUSA-N
XLogP1.70
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[[(3aS,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamoyl]-3-methoxyprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(3aS,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamoyl]-3-methoxyprop-2-enamide?
The IUPAC name of N-[[(3aS,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamoyl]-3-methoxyprop-2-enamide (CID 68604026) is N-[[(3aS,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamoyl]-3-methoxyprop-2-enamide.
What is the SMILES notation for N-[[(3aS,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamoyl]-3-methoxyprop-2-enamide?
The canonical SMILES for N-[[(3aS,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamoyl]-3-methoxyprop-2-enamide is COC=CC(=O)NC(=O)N[C@@H]1C[C@H](COC(C)(C)C)[C@H]2OC(C)(C)O[C@H]21.
What is the InChIKey of N-[[(3aS,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamoyl]-3-methoxyprop-2-enamide?
The InChIKey is ODMCIQPDJIYHKG-GBOPCIDUSA-N. The full InChI is InChI=1S/C18H30N2O6/c1-17(2,3)24-10-11-9-12(15-14(11)25-18(4,5)26-15)19-16(22)20-13(21)7-8-23-6/h7-8,11-12,14-15H,9-10H2,1-6H3,(H2,19,20,21,22)/t11-,12-,14-,15+/m1/s1.
What are the key properties of N-[[(3aS,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamoyl]-3-methoxyprop-2-enamide?
N-[[(3aS,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamoyl]-3-methoxyprop-2-enamide has a molecular weight of 370.45 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aS,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]carbamoyl]-3-methoxyprop-2-enamide is sourced from PubChem (CID 68604026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).