N-(3-methoxypropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide

C12H22N2O3 — CID 80720706

IUPACN-(3-methoxypropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide
SMILESCOCCCNC(=O)CNC1CC2CCC1O2
InChIInChI=1S/C12H22N2O3/c1-16-6-2-5-13-12(15)8-14-10-7-9-3-4-11(10)17-9/h9-11,14H,2-8H2,1H3,(H,13,15)
InChIKeyMPHHQABLZOQPGF-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.05
Rot. Bonds7

About N-(3-methoxypropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide

N-(3-methoxypropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide (PubChem CID 80720706) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide
PubChem CID80720706
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-(3-methoxypropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide
SMILESCOCCCNC(=O)CNC1CC2CCC1O2
InChIInChI=1S/C12H22N2O3/c1-16-6-2-5-13-12(15)8-14-10-7-9-3-4-11(10)17-9/h9-11,14H,2-8H2,1H3,(H,13,15)
InChIKeyMPHHQABLZOQPGF-UHFFFAOYSA-N
XLogP0.05
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-[(2-methylcyclopropyl)amino]acetamide
CID 62396936
N-[2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 110687120
N-(2-methoxyethyl)-2-[(2-methylcyclohexyl)amino]acetamide
CID 60646854
ethyl 6-(7-oxabicyclo[2.2.1]heptan-2-ylamino)hexanoate
CID 80720435
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-(3-methoxypropyl)acetamide
CID 60641272
N-(3-methoxypropyl)-2-[(2-oxopiperidin-3-yl)amino]acetamide
CID 55033154
2-[(2-bromoacetyl)amino]-N-(3-methoxypropyl)acetamide
CID 82108968
2-(2-methoxyethylamino)-N-(3-methoxypropyl)acetamide;hydrochloride
CID 119672351
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(3-methoxypropyl)acetamide
CID 60693734
N'-cyclopropyl-N-(3-methoxypropyl)propanediamide
CID 108940973
2-(cyclohexylcarbamoylamino)-N-(3-methoxypropyl)acetamide
CID 47318586
2-(2-cyclohexylethylamino)-N-(3-methoxypropyl)acetamide
CID 54957148

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide (CID 80720706) is N-(3-methoxypropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide is COCCCNC(=O)CNC1CC2CCC1O2.
What is the InChIKey of N-(3-methoxypropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide?
The InChIKey is MPHHQABLZOQPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-16-6-2-5-13-12(15)8-14-10-7-9-3-4-11(10)17-9/h9-11,14H,2-8H2,1H3,(H,13,15).
What are the key properties of N-(3-methoxypropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide?
N-(3-methoxypropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide has a molecular weight of 242.32 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide is sourced from PubChem (CID 80720706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).