N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]acetamide

C10H18N2O2 — CID 62064884

IUPACN-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]acetamide
SMILESCC(=O)NCCNCC1CCC=CO1
InChIInChI=1S/C10H18N2O2/c1-9(13)12-6-5-11-8-10-4-2-3-7-14-10/h3,7,10-11H,2,4-6,8H2,1H3,(H,12,13)
InChIKeyRJMWZJOIPGCNPR-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.40
Rot. Bonds5

About N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]acetamide

N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]acetamide (PubChem CID 62064884) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]acetamide
PubChem CID62064884
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]acetamide
SMILESCC(=O)NCCNCC1CCC=CO1
InChIInChI=1S/C10H18N2O2/c1-9(13)12-6-5-11-8-10-4-2-3-7-14-10/h3,7,10-11H,2,4-6,8H2,1H3,(H,12,13)
InChIKeyRJMWZJOIPGCNPR-UHFFFAOYSA-N
XLogP0.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]acetamide?
The IUPAC name of N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]acetamide (CID 62064884) is N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]acetamide is CC(=O)NCCNCC1CCC=CO1.
What is the InChIKey of N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]acetamide?
The InChIKey is RJMWZJOIPGCNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-9(13)12-6-5-11-8-10-4-2-3-7-14-10/h3,7,10-11H,2,4-6,8H2,1H3,(H,12,13).
What are the key properties of N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]acetamide?
N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]acetamide has a molecular weight of 198.27 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]acetamide is sourced from PubChem (CID 62064884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).