N-[2-(tert-butylamino)ethyl]-2-(oxan-4-yl)acetamide

C13H26N2O2 — CID 71990845

IUPACN-[2-(tert-butylamino)ethyl]-2-(oxan-4-yl)acetamide
SMILESCC(C)(C)NCCNC(=O)CC1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)15-7-6-14-12(16)10-11-4-8-17-9-5-11/h11,15H,4-10H2,1-3H3,(H,14,16)
InChIKeyWTKFUKUGGJJBBK-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.31
Rot. Bonds5

About N-[2-(tert-butylamino)ethyl]-2-(oxan-4-yl)acetamide

N-[2-(tert-butylamino)ethyl]-2-(oxan-4-yl)acetamide (PubChem CID 71990845) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[2-(tert-butylamino)ethyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)ethyl]-2-(oxan-4-yl)acetamide
PubChem CID71990845
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[2-(tert-butylamino)ethyl]-2-(oxan-4-yl)acetamide
SMILESCC(C)(C)NCCNC(=O)CC1CCOCC1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)15-7-6-14-12(16)10-11-4-8-17-9-5-11/h11,15H,4-10H2,1-3H3,(H,14,16)
InChIKeyWTKFUKUGGJJBBK-UHFFFAOYSA-N
XLogP1.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(oxan-4-yl)acetamide
CID 110834377
N-(3-amino-2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide
CID 175659475
2-cyclopropyl-N-[2-(ethylamino)ethyl]acetamide
CID 62659717
2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(oxan-4-yl)acetamide
CID 120791442
2-(methylamino)-N-[2-(oxan-4-yl)ethyl]acetamide
CID 115152043
4-(tert-butylamino)-2-methyl-1-(oxan-4-yl)butan-2-ol
CID 66002465
tert-butyl N-[(E)-4-(oxan-4-ylmethylamino)but-2-enyl]carbamate
CID 107253288
2-(tert-butylamino)-N-(oxolan-3-ylmethyl)acetamide
CID 112730307
N-tert-butyl-3,3-dimethyl-4-(oxan-4-yl)butan-1-amine
CID 81033927
2-cyclopropyl-N-(3,3-dimethyl-2-oxobutyl)acetamide
CID 64991981
tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate
CID 115607413
3-(tert-butylamino)-N-[1-(oxan-4-yl)ethyl]propanamide
CID 114115155

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)ethyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[2-(tert-butylamino)ethyl]-2-(oxan-4-yl)acetamide (CID 71990845) is N-[2-(tert-butylamino)ethyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[2-(tert-butylamino)ethyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[2-(tert-butylamino)ethyl]-2-(oxan-4-yl)acetamide is CC(C)(C)NCCNC(=O)CC1CCOCC1.
What is the InChIKey of N-[2-(tert-butylamino)ethyl]-2-(oxan-4-yl)acetamide?
The InChIKey is WTKFUKUGGJJBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,3)15-7-6-14-12(16)10-11-4-8-17-9-5-11/h11,15H,4-10H2,1-3H3,(H,14,16).
What are the key properties of N-[2-(tert-butylamino)ethyl]-2-(oxan-4-yl)acetamide?
N-[2-(tert-butylamino)ethyl]-2-(oxan-4-yl)acetamide has a molecular weight of 242.36 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)ethyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 71990845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).