4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide

C10H18N2O2 — CID 62064413

IUPAC4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide
SMILESNC(=O)CCCNCC1CCC=CO1
InChIInChI=1S/C10H18N2O2/c11-10(13)5-3-6-12-8-9-4-1-2-7-14-9/h2,7,9,12H,1,3-6,8H2,(H2,11,13)
InChIKeyIDHASIHSVKQSMI-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.53
Rot. Bonds6

About 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide

4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide (PubChem CID 62064413) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide
PubChem CID62064413
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide
SMILESNC(=O)CCCNCC1CCC=CO1
InChIInChI=1S/C10H18N2O2/c11-10(13)5-3-6-12-8-9-4-1-2-7-14-9/h2,7,9,12H,1,3-6,8H2,(H2,11,13)
InChIKeyIDHASIHSVKQSMI-UHFFFAOYSA-N
XLogP0.53
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.53
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 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide?
The IUPAC name of 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide (CID 62064413) is 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide.
What is the SMILES notation for 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide?
The canonical SMILES for 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide is NC(=O)CCCNCC1CCC=CO1.
What is the InChIKey of 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide?
The InChIKey is IDHASIHSVKQSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c11-10(13)5-3-6-12-8-9-4-1-2-7-14-9/h2,7,9,12H,1,3-6,8H2,(H2,11,13).
What are the key properties of 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide?
4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide has a molecular weight of 198.27 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide is sourced from PubChem (CID 62064413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).