N-[2-(oxan-4-yl)ethyl]-2-(propan-2-ylamino)acetamide

C12H24N2O2 — CID 115158324

IUPACN-[2-(oxan-4-yl)ethyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NCCC1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-10(2)14-9-12(15)13-6-3-11-4-7-16-8-5-11/h10-11,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyWASJSYQATDFCPB-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.92
Rot. Bonds6

About N-[2-(oxan-4-yl)ethyl]-2-(propan-2-ylamino)acetamide

N-[2-(oxan-4-yl)ethyl]-2-(propan-2-ylamino)acetamide (PubChem CID 115158324) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[2-(oxan-4-yl)ethyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[2-(oxan-4-yl)ethyl]-2-(propan-2-ylamino)acetamide
PubChem CID115158324
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[2-(oxan-4-yl)ethyl]-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)NCCC1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-10(2)14-9-12(15)13-6-3-11-4-7-16-8-5-11/h10-11,14H,3-9H2,1-2H3,(H,13,15)
InChIKeyWASJSYQATDFCPB-UHFFFAOYSA-N
XLogP0.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-[2-(oxan-4-yl)ethyl]acetamide
CID 115152043
N-(2-cyclopropylethyl)-2-(1-sulfanylethylamino)acetamide
CID 155484883
2-(2-methoxyethylamino)-N-[2-(oxan-4-yl)ethyl]acetamide
CID 119724840
2-(oxan-4-yl)ethylurea
CID 68798130
2-[1-(oxan-4-yl)ethylamino]-N-propylacetamide
CID 115707135
2-(methylaminomethyl)-N-[2-(oxan-4-yl)ethyl]butanamide
CID 115188973
N-(2-hydroxypropyl)-3-(oxan-4-yl)propanamide
CID 84578706
N-[(4-hydroxyoxan-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 81130209
(2S)-2-amino-N-[2-(2-cyclopentylethylamino)-2-oxoethyl]-3-methylbutanamide
CID 82961987
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 113267480
2-(propan-2-ylamino)-N-(3,3,3-trifluoropropyl)acetamide
CID 63226957
N-[(4-ethylcyclohexyl)methyl]-2-(propan-2-ylamino)acetamide
CID 54880897

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxan-4-yl)ethyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[2-(oxan-4-yl)ethyl]-2-(propan-2-ylamino)acetamide (CID 115158324) is N-[2-(oxan-4-yl)ethyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[2-(oxan-4-yl)ethyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[2-(oxan-4-yl)ethyl]-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)NCCC1CCOCC1.
What is the InChIKey of N-[2-(oxan-4-yl)ethyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is WASJSYQATDFCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(2)14-9-12(15)13-6-3-11-4-7-16-8-5-11/h10-11,14H,3-9H2,1-2H3,(H,13,15).
What are the key properties of N-[2-(oxan-4-yl)ethyl]-2-(propan-2-ylamino)acetamide?
N-[2-(oxan-4-yl)ethyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 228.34 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxan-4-yl)ethyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 115158324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).