3-amino-N,2,2,3-tetramethyl-N-(oxan-4-ylmethyl)butanamide

C14H28N2O2 — CID 65267378

IUPAC3-amino-N,2,2,3-tetramethyl-N-(oxan-4-ylmethyl)butanamide
SMILESCN(CC1CCOCC1)C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C14H28N2O2/c1-13(2,14(3,4)15)12(17)16(5)10-11-6-8-18-9-7-11/h11H,6-10,15H2,1-5H3
InChIKeyLWZDJMNTRXYWFE-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.63
Rot. Bonds4

About 3-amino-N,2,2,3-tetramethyl-N-(oxan-4-ylmethyl)butanamide

3-amino-N,2,2,3-tetramethyl-N-(oxan-4-ylmethyl)butanamide (PubChem CID 65267378) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-amino-N,2,2,3-tetramethyl-N-(oxan-4-ylmethyl)butanamide.

Molecular Properties

Compound Name3-amino-N,2,2,3-tetramethyl-N-(oxan-4-ylmethyl)butanamide
PubChem CID65267378
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-amino-N,2,2,3-tetramethyl-N-(oxan-4-ylmethyl)butanamide
SMILESCN(CC1CCOCC1)C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C14H28N2O2/c1-13(2,14(3,4)15)12(17)16(5)10-11-6-8-18-9-7-11/h11H,6-10,15H2,1-5H3
InChIKeyLWZDJMNTRXYWFE-UHFFFAOYSA-N
XLogP1.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(cyclohexylmethyl)-N,2,2,3-tetramethylbutanamide
CID 65269620
2-amino-N,2-dimethyl-N-(oxan-4-ylmethyl)butanamide
CID 79812019
2-(4-aminocyclohexyl)-N-methyl-N-(oxan-4-ylmethyl)acetamide
CID 55226080
N-methyl-N-(oxan-4-ylmethyl)cyclohexanecarboxamide
CID 110752395
N-methyl-N-(oxan-4-ylmethyl)adamantane-1-carboxamide
CID 110752440
cis-(1R,3S)-2,2-dimethyl-3-[methyl(oxan-4-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114092348
2-amino-N,2-dimethyl-N-(oxan-3-ylmethyl)butanamide
CID 79811911
2-amino-2-methyl-5-[methyl(oxan-4-ylmethyl)amino]pentanamide
CID 63712858
2-cyclopropyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 63706066
2-amino-N-(cyclobutylmethyl)-3,3,3-trifluoro-N,2-dimethylpropanamide
CID 79810672
2-amino-3,3,3-trifluoro-N,2-dimethyl-N-(oxan-3-ylmethyl)propanamide
CID 79812018
2,2-dimethyl-4-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 65301944

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2,2,3-tetramethyl-N-(oxan-4-ylmethyl)butanamide?
The IUPAC name of 3-amino-N,2,2,3-tetramethyl-N-(oxan-4-ylmethyl)butanamide (CID 65267378) is 3-amino-N,2,2,3-tetramethyl-N-(oxan-4-ylmethyl)butanamide.
What is the SMILES notation for 3-amino-N,2,2,3-tetramethyl-N-(oxan-4-ylmethyl)butanamide?
The canonical SMILES for 3-amino-N,2,2,3-tetramethyl-N-(oxan-4-ylmethyl)butanamide is CN(CC1CCOCC1)C(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 3-amino-N,2,2,3-tetramethyl-N-(oxan-4-ylmethyl)butanamide?
The InChIKey is LWZDJMNTRXYWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-13(2,14(3,4)15)12(17)16(5)10-11-6-8-18-9-7-11/h11H,6-10,15H2,1-5H3.
What are the key properties of 3-amino-N,2,2,3-tetramethyl-N-(oxan-4-ylmethyl)butanamide?
3-amino-N,2,2,3-tetramethyl-N-(oxan-4-ylmethyl)butanamide has a molecular weight of 256.39 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2,2,3-tetramethyl-N-(oxan-4-ylmethyl)butanamide is sourced from PubChem (CID 65267378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).