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

C13H22N2O2 — CID 79394422

IUPACN-cyclopropyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide
SMILESO=C(CCCNCC1CCC=CO1)NC1CC1
InChIInChI=1S/C13H22N2O2/c16-13(15-11-6-7-11)5-3-8-14-10-12-4-1-2-9-17-12/h2,9,11-12,14H,1,3-8,10H2,(H,15,16)
InChIKeyWDIIPEXTYLJLTC-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.33
Rot. Bonds7

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

N-cyclopropyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide (PubChem CID 79394422) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-cyclopropyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide
PubChem CID79394422
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-cyclopropyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide
SMILESO=C(CCCNCC1CCC=CO1)NC1CC1
InChIInChI=1S/C13H22N2O2/c16-13(15-11-6-7-11)5-3-8-14-10-12-4-1-2-9-17-12/h2,9,11-12,14H,1,3-8,10H2,(H,15,16)
InChIKeyWDIIPEXTYLJLTC-UHFFFAOYSA-N
XLogP1.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide?
The IUPAC name of N-cyclopropyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide (CID 79394422) is N-cyclopropyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide.
What is the SMILES notation for N-cyclopropyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide?
The canonical SMILES for N-cyclopropyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide is O=C(CCCNCC1CCC=CO1)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide?
The InChIKey is WDIIPEXTYLJLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-13(15-11-6-7-11)5-3-8-14-10-12-4-1-2-9-17-12/h2,9,11-12,14H,1,3-8,10H2,(H,15,16).
What are the key properties of N-cyclopropyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide?
N-cyclopropyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide has a molecular weight of 238.33 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide is sourced from PubChem (CID 79394422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).