6-methyl-N-[2-(2-methylpropanoylamino)ethyl]-3,4-dihydro-2H-pyran-5-carboxamide

C13H22N2O3 — CID 102553630

IUPAC6-methyl-N-[2-(2-methylpropanoylamino)ethyl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)NCCNC(=O)C(C)C)CCCO1
InChIInChI=1S/C13H22N2O3/c1-9(2)12(16)14-6-7-15-13(17)11-5-4-8-18-10(11)3/h9H,4-8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyICCBQXZAWWCKFS-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.96
Rot. Bonds5

About 6-methyl-N-[2-(2-methylpropanoylamino)ethyl]-3,4-dihydro-2H-pyran-5-carboxamide

6-methyl-N-[2-(2-methylpropanoylamino)ethyl]-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 102553630) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 6-methyl-N-[2-(2-methylpropanoylamino)ethyl]-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-(2-methylpropanoylamino)ethyl]-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID102553630
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name6-methyl-N-[2-(2-methylpropanoylamino)ethyl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)NCCNC(=O)C(C)C)CCCO1
InChIInChI=1S/C13H22N2O3/c1-9(2)12(16)14-6-7-15-13(17)11-5-4-8-18-10(11)3/h9H,4-8H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyICCBQXZAWWCKFS-UHFFFAOYSA-N
XLogP0.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.96
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 6-methyl-N-[2-(2-methylpropanoylamino)ethyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of 6-methyl-N-[2-(2-methylpropanoylamino)ethyl]-3,4-dihydro-2H-pyran-5-carboxamide (CID 102553630) is 6-methyl-N-[2-(2-methylpropanoylamino)ethyl]-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-(2-methylpropanoylamino)ethyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for 6-methyl-N-[2-(2-methylpropanoylamino)ethyl]-3,4-dihydro-2H-pyran-5-carboxamide is CC1=C(C(=O)NCCNC(=O)C(C)C)CCCO1.
What is the InChIKey of 6-methyl-N-[2-(2-methylpropanoylamino)ethyl]-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is ICCBQXZAWWCKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(2)12(16)14-6-7-15-13(17)11-5-4-8-18-10(11)3/h9H,4-8H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 6-methyl-N-[2-(2-methylpropanoylamino)ethyl]-3,4-dihydro-2H-pyran-5-carboxamide?
6-methyl-N-[2-(2-methylpropanoylamino)ethyl]-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(2-methylpropanoylamino)ethyl]-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 102553630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).