2-[(3-methoxycyclobutyl)amino]-N-(oxan-4-yl)acetamide

C12H22N2O3 — CID 114119327

IUPAC2-[(3-methoxycyclobutyl)amino]-N-(oxan-4-yl)acetamide
SMILESCOC1CC(NCC(=O)NC2CCOCC2)C1
InChIInChI=1S/C12H22N2O3/c1-16-11-6-10(7-11)13-8-12(15)14-9-2-4-17-5-3-9/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyNPSTVCPJXVNKTN-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.05
Rot. Bonds5

About 2-[(3-methoxycyclobutyl)amino]-N-(oxan-4-yl)acetamide

2-[(3-methoxycyclobutyl)amino]-N-(oxan-4-yl)acetamide (PubChem CID 114119327) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(3-methoxycyclobutyl)amino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[(3-methoxycyclobutyl)amino]-N-(oxan-4-yl)acetamide
PubChem CID114119327
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[(3-methoxycyclobutyl)amino]-N-(oxan-4-yl)acetamide
SMILESCOC1CC(NCC(=O)NC2CCOCC2)C1
InChIInChI=1S/C12H22N2O3/c1-16-11-6-10(7-11)13-8-12(15)14-9-2-4-17-5-3-9/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyNPSTVCPJXVNKTN-UHFFFAOYSA-N
XLogP0.05
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,3-dimethylcyclopentyl)amino]-N-(oxan-4-yl)acetamide
CID 114546014
2-[(2,2-diethyloxan-4-yl)amino]-N-(oxan-4-yl)acetamide
CID 83036427
N-(oxan-4-yl)-2-(oxan-4-ylmethylamino)acetamide
CID 63712370
N-cycloheptyl-2-(oxolan-3-ylamino)acetamide
CID 80714047
2-[(3-methoxycyclobutyl)amino]-N-(2-methoxyethyl)acetamide
CID 104872016
2-(2-methoxypropylamino)-N-(oxan-4-yl)acetamide
CID 102697815
methyl 4-[2-(oxan-4-ylamino)-2-oxoethoxy]cyclohexane-1-carboxylate
CID 114450678
2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide
CID 63098151
2-(2-methylpropylamino)-N-(oxan-4-yl)acetamide
CID 63098322
2-(4-methoxybutan-2-ylamino)-N-(oxan-4-yl)acetamide
CID 64605664
2-[(2-cyclopropyloxolan-3-yl)amino]-N-(oxan-4-yl)acetamide
CID 103580741
2-(oxaldehydoylamino)-N-(oxan-4-yl)acetamide
CID 87598954

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxycyclobutyl)amino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[(3-methoxycyclobutyl)amino]-N-(oxan-4-yl)acetamide (CID 114119327) is 2-[(3-methoxycyclobutyl)amino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[(3-methoxycyclobutyl)amino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[(3-methoxycyclobutyl)amino]-N-(oxan-4-yl)acetamide is COC1CC(NCC(=O)NC2CCOCC2)C1.
What is the InChIKey of 2-[(3-methoxycyclobutyl)amino]-N-(oxan-4-yl)acetamide?
The InChIKey is NPSTVCPJXVNKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-16-11-6-10(7-11)13-8-12(15)14-9-2-4-17-5-3-9/h9-11,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-[(3-methoxycyclobutyl)amino]-N-(oxan-4-yl)acetamide?
2-[(3-methoxycyclobutyl)amino]-N-(oxan-4-yl)acetamide has a molecular weight of 242.32 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxycyclobutyl)amino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 114119327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).