N-(oxan-4-yl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide

C14H27N3O2 — CID 55180342

IUPACN-(oxan-4-yl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
SMILESCC(CN1CCCC1)NCC(=O)NC1CCOCC1
InChIInChI=1S/C14H27N3O2/c1-12(11-17-6-2-3-7-17)15-10-14(18)16-13-4-8-19-9-5-13/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyNQCHTSLBDVTSRF-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.36
Rot. Bonds6

About N-(oxan-4-yl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide

N-(oxan-4-yl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide (PubChem CID 55180342) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
PubChem CID55180342
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-(oxan-4-yl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
SMILESCC(CN1CCCC1)NCC(=O)NC1CCOCC1
InChIInChI=1S/C14H27N3O2/c1-12(11-17-6-2-3-7-17)15-10-14(18)16-13-4-8-19-9-5-13/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyNQCHTSLBDVTSRF-UHFFFAOYSA-N
XLogP0.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 54952745
2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide
CID 63098151
2-(butan-2-ylamino)-N-(oxolan-3-yl)acetamide
CID 80713915
2-(4-methoxybutan-2-ylamino)-N-(oxan-4-yl)acetamide
CID 64605664
1-(1-morpholin-4-ylpropan-2-yl)-3-(oxan-4-yl)urea
CID 128943207
2-(2-methylpropylamino)-N-(oxan-4-yl)acetamide
CID 63098322
N-cyclohexyl-2-[1-(oxan-4-yl)ethylamino]acetamide
CID 103902052
N-propyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 61473889
N-carbamoyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 61473770
2-[1-(4-fluorophenyl)propan-2-ylamino]-N-(oxan-4-yl)acetamide
CID 63097642
N-(oxan-4-yl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63241627
N-cyclopropyl-2-(1-morpholin-4-ylpropan-2-ylamino)propanamide
CID 54965360

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide?
The IUPAC name of N-(oxan-4-yl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide (CID 55180342) is N-(oxan-4-yl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide is CC(CN1CCCC1)NCC(=O)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide?
The InChIKey is NQCHTSLBDVTSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-12(11-17-6-2-3-7-17)15-10-14(18)16-13-4-8-19-9-5-13/h12-13,15H,2-11H2,1H3,(H,16,18).
What are the key properties of N-(oxan-4-yl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide?
N-(oxan-4-yl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide has a molecular weight of 269.39 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide is sourced from PubChem (CID 55180342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).