3-amino-2,2,3-trimethyl-N-(4-methyloxan-4-yl)butanamide

C13H26N2O2 — CID 113491107

IUPAC3-amino-2,2,3-trimethyl-N-(4-methyloxan-4-yl)butanamide
SMILESCC1(NC(=O)C(C)(C)C(C)(C)N)CCOCC1
InChIInChI=1S/C13H26N2O2/c1-11(2,12(3,4)14)10(16)15-13(5)6-8-17-9-7-13/h6-9,14H2,1-5H3,(H,15,16)
InChIKeySTUHIHXAGVMUNB-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.44
Rot. Bonds3

About 3-amino-2,2,3-trimethyl-N-(4-methyloxan-4-yl)butanamide

3-amino-2,2,3-trimethyl-N-(4-methyloxan-4-yl)butanamide (PubChem CID 113491107) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-N-(4-methyloxan-4-yl)butanamide.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-N-(4-methyloxan-4-yl)butanamide
PubChem CID113491107
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-amino-2,2,3-trimethyl-N-(4-methyloxan-4-yl)butanamide
SMILESCC1(NC(=O)C(C)(C)C(C)(C)N)CCOCC1
InChIInChI=1S/C13H26N2O2/c1-11(2,12(3,4)14)10(16)15-13(5)6-8-17-9-7-13/h6-9,14H2,1-5H3,(H,15,16)
InChIKeySTUHIHXAGVMUNB-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3-(4-methyloxan-4-yl)urea
CID 116657944
2-chloro-N-(4-methyloxan-4-yl)acetamide
CID 18437326
(2R)-2-hydroxy-N-(4-methyloxan-4-yl)propanamide
CID 130718981
(2R)-2-amino-3,3-dimethyl-N-(3-methyloxolan-3-yl)butanamide
CID 104865232
N-(4-methyloxan-4-yl)-2-sulfanylpropanamide
CID 107035609
4-amino-N-(4-methyloxan-4-yl)cyclohexane-1-carboxamide
CID 113491088
1-tert-butyl-3-(3-methyloxolan-3-yl)urea
CID 115766446
1-ethyl-1-methyl-3-(4-methyloxan-4-yl)urea
CID 116657948
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbutanamide
CID 106298541
N-(4-methyloxan-4-yl)-4-sulfanylbenzamide
CID 107035610
4-(2,2-dimethylpropanoylamino)oxane-4-carboxylic acid
CID 115291564
2-hydroxy-N-(4-methyloxan-4-yl)benzamide
CID 113324402

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-N-(4-methyloxan-4-yl)butanamide?
The IUPAC name of 3-amino-2,2,3-trimethyl-N-(4-methyloxan-4-yl)butanamide (CID 113491107) is 3-amino-2,2,3-trimethyl-N-(4-methyloxan-4-yl)butanamide.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-N-(4-methyloxan-4-yl)butanamide?
The canonical SMILES for 3-amino-2,2,3-trimethyl-N-(4-methyloxan-4-yl)butanamide is CC1(NC(=O)C(C)(C)C(C)(C)N)CCOCC1.
What is the InChIKey of 3-amino-2,2,3-trimethyl-N-(4-methyloxan-4-yl)butanamide?
The InChIKey is STUHIHXAGVMUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2,12(3,4)14)10(16)15-13(5)6-8-17-9-7-13/h6-9,14H2,1-5H3,(H,15,16).
What are the key properties of 3-amino-2,2,3-trimethyl-N-(4-methyloxan-4-yl)butanamide?
3-amino-2,2,3-trimethyl-N-(4-methyloxan-4-yl)butanamide has a molecular weight of 242.36 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-N-(4-methyloxan-4-yl)butanamide is sourced from PubChem (CID 113491107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).