4-amino-N,3-dimethyl-N-(oxan-4-yl)oxolane-3-carboxamide

C12H22N2O3 — CID 66250019

IUPAC4-amino-N,3-dimethyl-N-(oxan-4-yl)oxolane-3-carboxamide
SMILESCN(C(=O)C1(C)COCC1N)C1CCOCC1
InChIInChI=1S/C12H22N2O3/c1-12(8-17-7-10(12)13)11(15)14(2)9-3-5-16-6-4-9/h9-10H,3-8,13H2,1-2H3
InChIKeyLYPPMKGUNVKYPG-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.01
Rot. Bonds2

About 4-amino-N,3-dimethyl-N-(oxan-4-yl)oxolane-3-carboxamide

4-amino-N,3-dimethyl-N-(oxan-4-yl)oxolane-3-carboxamide (PubChem CID 66250019) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-amino-N,3-dimethyl-N-(oxan-4-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N,3-dimethyl-N-(oxan-4-yl)oxolane-3-carboxamide
PubChem CID66250019
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-amino-N,3-dimethyl-N-(oxan-4-yl)oxolane-3-carboxamide
SMILESCN(C(=O)C1(C)COCC1N)C1CCOCC1
InChIInChI=1S/C12H22N2O3/c1-12(8-17-7-10(12)13)11(15)14(2)9-3-5-16-6-4-9/h9-10H,3-8,13H2,1-2H3
InChIKeyLYPPMKGUNVKYPG-UHFFFAOYSA-N
XLogP-0.01
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N,3-dimethyl-N-(oxan-4-yl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N,3-dimethyl-N-(oxan-4-yl)oxolane-3-carboxamide (CID 66250019) is 4-amino-N,3-dimethyl-N-(oxan-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N,3-dimethyl-N-(oxan-4-yl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N,3-dimethyl-N-(oxan-4-yl)oxolane-3-carboxamide is CN(C(=O)C1(C)COCC1N)C1CCOCC1.
What is the InChIKey of 4-amino-N,3-dimethyl-N-(oxan-4-yl)oxolane-3-carboxamide?
The InChIKey is LYPPMKGUNVKYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(8-17-7-10(12)13)11(15)14(2)9-3-5-16-6-4-9/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 4-amino-N,3-dimethyl-N-(oxan-4-yl)oxolane-3-carboxamide?
4-amino-N,3-dimethyl-N-(oxan-4-yl)oxolane-3-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,3-dimethyl-N-(oxan-4-yl)oxolane-3-carboxamide is sourced from PubChem (CID 66250019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).