N-(cyclopropylmethyl)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide

C12H20N2O2 — CID 115968380

IUPACN-(cyclopropylmethyl)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide
SMILESO=C(CNCC1=CCCOC1)NCC1CC1
InChIInChI=1S/C12H20N2O2/c15-12(14-7-10-3-4-10)8-13-6-11-2-1-5-16-9-11/h2,10,13H,1,3-9H2,(H,14,15)
InChIKeyPWYUXIVHSZVOCS-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.45
Rot. Bonds6

About N-(cyclopropylmethyl)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide

N-(cyclopropylmethyl)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide (PubChem CID 115968380) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide
PubChem CID115968380
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(cyclopropylmethyl)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide
SMILESO=C(CNCC1=CCCOC1)NCC1CC1
InChIInChI=1S/C12H20N2O2/c15-12(14-7-10-3-4-10)8-13-6-11-2-1-5-16-9-11/h2,10,13H,1,3-9H2,(H,14,15)
InChIKeyPWYUXIVHSZVOCS-UHFFFAOYSA-N
XLogP0.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide (CID 115968380) is N-(cyclopropylmethyl)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide is O=C(CNCC1=CCCOC1)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide?
The InChIKey is PWYUXIVHSZVOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-12(14-7-10-3-4-10)8-13-6-11-2-1-5-16-9-11/h2,10,13H,1,3-9H2,(H,14,15).
What are the key properties of N-(cyclopropylmethyl)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide?
N-(cyclopropylmethyl)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide has a molecular weight of 224.30 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide is sourced from PubChem (CID 115968380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).