N-butan-2-yl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide

C13H24N2O2 — CID 62065283

IUPACN-butan-2-yl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide
SMILESCCC(C)NC(=O)CCNCC1CCC=CO1
InChIInChI=1S/C13H24N2O2/c1-3-11(2)15-13(16)7-8-14-10-12-6-4-5-9-17-12/h5,9,11-12,14H,3-4,6-8,10H2,1-2H3,(H,15,16)
InChIKeyNILLIZLXYFMSQO-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.57
Rot. Bonds7

About N-butan-2-yl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide

N-butan-2-yl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide (PubChem CID 62065283) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-butan-2-yl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide
PubChem CID62065283
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC NameN-butan-2-yl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide
SMILESCCC(C)NC(=O)CCNCC1CCC=CO1
InChIInChI=1S/C13H24N2O2/c1-3-11(2)15-13(16)7-8-14-10-12-6-4-5-9-17-12/h5,9,11-12,14H,3-4,6-8,10H2,1-2H3,(H,15,16)
InChIKeyNILLIZLXYFMSQO-UHFFFAOYSA-N
XLogP1.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.57
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-butan-2-yl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide?
The IUPAC name of N-butan-2-yl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide (CID 62065283) is N-butan-2-yl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide?
The canonical SMILES for N-butan-2-yl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide is CCC(C)NC(=O)CCNCC1CCC=CO1.
What is the InChIKey of N-butan-2-yl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide?
The InChIKey is NILLIZLXYFMSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-3-11(2)15-13(16)7-8-14-10-12-6-4-5-9-17-12/h5,9,11-12,14H,3-4,6-8,10H2,1-2H3,(H,15,16).
What are the key properties of N-butan-2-yl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide?
N-butan-2-yl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide has a molecular weight of 240.35 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanamide is sourced from PubChem (CID 62065283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).