N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

C14H23NO3 — CID 100903382

IUPACN-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)NCC2(CCO)CCC2)CCCO1
InChIInChI=1S/C14H23NO3/c1-11-12(4-2-9-18-11)13(17)15-10-14(7-8-16)5-3-6-14/h16H,2-10H2,1H3,(H,15,17)
InChIKeyQWZGVXFHWDBOBU-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.74
Rot. Bonds5

About N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 100903382) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID100903382
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC NameN-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)NCC2(CCO)CCC2)CCCO1
InChIInChI=1S/C14H23NO3/c1-11-12(4-2-9-18-11)13(17)15-10-14(7-8-16)5-3-6-14/h16H,2-10H2,1H3,(H,15,17)
InChIKeyQWZGVXFHWDBOBU-UHFFFAOYSA-N
XLogP1.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide 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-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide (CID 100903382) is N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide is CC1=C(C(=O)NCC2(CCO)CCC2)CCCO1.
What is the InChIKey of N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is QWZGVXFHWDBOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-11-12(4-2-9-18-11)13(17)15-10-14(7-8-16)5-3-6-14/h16H,2-10H2,1H3,(H,15,17).
What are the key properties of N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 253.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxyethyl)cyclobutyl]methyl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 100903382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).