N-(3-amino-2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide

C12H24N2O2 — CID 175659475

IUPACN-(3-amino-2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide
SMILESCC(C)(CN)CNC(=O)CC1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-12(2,8-13)9-14-11(15)7-10-3-5-16-6-4-10/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyXLWDCBHGUGQYPD-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.90
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide

N-(3-amino-2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide (PubChem CID 175659475) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide
PubChem CID175659475
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide
SMILESCC(C)(CN)CNC(=O)CC1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-12(2,8-13)9-14-11(15)7-10-3-5-16-6-4-10/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyXLWDCBHGUGQYPD-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-2-(oxan-4-yl)acetamide
CID 110834377
N-(3-amino-2,2-dimethylpropyl)oxane-4-carboxamide
CID 115365661
N-(5-amino-2,2-dimethylpentyl)-2-cyclopropylacetamide
CID 106140404
N-[2-(tert-butylamino)ethyl]-2-(oxan-4-yl)acetamide
CID 71990845
N-(4-bromo-2,2-dimethylbutyl)-2-(thian-4-yl)acetamide
CID 106143717
2-cyclopropyl-N-(3,3-dimethyl-2-oxobutyl)acetamide
CID 64991981
ethyl 3-[[2-(oxan-4-yl)acetyl]amino]butanoate
CID 86779249
(1S,5S)-N-[2,2-dimethyl-3-(oxan-4-yl)propyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 98231110
N-(3-amino-2,2-dimethylpropyl)-3-(1-methylpyrrolidin-3-yl)propanamide
CID 115271090
N-(3-amino-2-methylpropyl)-2-cyclopropylacetamide
CID 62667808
2-(oxan-4-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 115271886
N-(2-amino-2-ethylbutyl)-2-cyclopentylacetamide
CID 81424334

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide (CID 175659475) is N-(3-amino-2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide is CC(C)(CN)CNC(=O)CC1CCOCC1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide?
The InChIKey is XLWDCBHGUGQYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,8-13)9-14-11(15)7-10-3-5-16-6-4-10/h10H,3-9,13H2,1-2H3,(H,14,15).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide?
N-(3-amino-2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide has a molecular weight of 228.34 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 175659475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).