4-amino-N-(1,1-dimethoxypropan-2-yl)-3-methyloxolane-3-carboxamide

C11H22N2O4 — CID 66262770

IUPAC4-amino-N-(1,1-dimethoxypropan-2-yl)-3-methyloxolane-3-carboxamide
SMILESCOC(OC)C(C)NC(=O)C1(C)COCC1N
InChIInChI=1S/C11H22N2O4/c1-7(9(15-3)16-4)13-10(14)11(2)6-17-5-8(11)12/h7-9H,5-6,12H2,1-4H3,(H,13,14)
InChIKeyKFKWIJFTYGRJTC-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.53
Rot. Bonds5

About 4-amino-N-(1,1-dimethoxypropan-2-yl)-3-methyloxolane-3-carboxamide

4-amino-N-(1,1-dimethoxypropan-2-yl)-3-methyloxolane-3-carboxamide (PubChem CID 66262770) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-amino-N-(1,1-dimethoxypropan-2-yl)-3-methyloxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,1-dimethoxypropan-2-yl)-3-methyloxolane-3-carboxamide
PubChem CID66262770
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name4-amino-N-(1,1-dimethoxypropan-2-yl)-3-methyloxolane-3-carboxamide
SMILESCOC(OC)C(C)NC(=O)C1(C)COCC1N
InChIInChI=1S/C11H22N2O4/c1-7(9(15-3)16-4)13-10(14)11(2)6-17-5-8(11)12/h7-9H,5-6,12H2,1-4H3,(H,13,14)
InChIKeyKFKWIJFTYGRJTC-UHFFFAOYSA-N
XLogP-0.53
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,1-dimethoxypropan-2-yl)-3-methyloxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(1,1-dimethoxypropan-2-yl)-3-methyloxolane-3-carboxamide (CID 66262770) is 4-amino-N-(1,1-dimethoxypropan-2-yl)-3-methyloxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1,1-dimethoxypropan-2-yl)-3-methyloxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(1,1-dimethoxypropan-2-yl)-3-methyloxolane-3-carboxamide is COC(OC)C(C)NC(=O)C1(C)COCC1N.
What is the InChIKey of 4-amino-N-(1,1-dimethoxypropan-2-yl)-3-methyloxolane-3-carboxamide?
The InChIKey is KFKWIJFTYGRJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-7(9(15-3)16-4)13-10(14)11(2)6-17-5-8(11)12/h7-9H,5-6,12H2,1-4H3,(H,13,14).
What are the key properties of 4-amino-N-(1,1-dimethoxypropan-2-yl)-3-methyloxolane-3-carboxamide?
4-amino-N-(1,1-dimethoxypropan-2-yl)-3-methyloxolane-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,1-dimethoxypropan-2-yl)-3-methyloxolane-3-carboxamide is sourced from PubChem (CID 66262770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).