2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide

C12H24N2O3 — CID 77209457

IUPAC2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)NCC1(O)CCOCC1
InChIInChI=1S/C12H24N2O3/c1-11(2,3)9(13)10(15)14-8-12(16)4-6-17-7-5-12/h9,16H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyXYSJFPHEZGZWEA-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.02
Rot. Bonds3

About 2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide

2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide (PubChem CID 77209457) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide
PubChem CID77209457
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)C(N)C(=O)NCC1(O)CCOCC1
InChIInChI=1S/C12H24N2O3/c1-11(2,3)9(13)10(15)14-8-12(16)4-6-17-7-5-12/h9,16H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyXYSJFPHEZGZWEA-UHFFFAOYSA-N
XLogP0.02
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide (CID 77209457) is 2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide is CC(C)(C)C(N)C(=O)NCC1(O)CCOCC1.
What is the InChIKey of 2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide?
The InChIKey is XYSJFPHEZGZWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-11(2,3)9(13)10(15)14-8-12(16)4-6-17-7-5-12/h9,16H,4-8,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide?
2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide has a molecular weight of 244.33 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 77209457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).