N-[2-(3-hydroxycyclobutyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide

C18H27NO4 — CID 170504979

IUPACN-[2-(3-hydroxycyclobutyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)NCCC2CC(O)C2)c(=O)o1
InChIInChI=1S/C18H27NO4/c1-4-5-11(2)15-8-12(3)16(18(22)23-15)17(21)19-7-6-13-9-14(20)10-13/h8,11,13-14,20H,4-7,9-10H2,1-3H3,(H,19,21)
InChIKeyOJXAUPRLRZMYHS-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.74
Rot. Bonds7

About N-[2-(3-hydroxycyclobutyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide

N-[2-(3-hydroxycyclobutyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide (PubChem CID 170504979) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[2-(3-hydroxycyclobutyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-hydroxycyclobutyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
PubChem CID170504979
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC NameN-[2-(3-hydroxycyclobutyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
SMILESCCCC(C)c1cc(C)c(C(=O)NCCC2CC(O)C2)c(=O)o1
InChIInChI=1S/C18H27NO4/c1-4-5-11(2)15-8-12(3)16(18(22)23-15)17(21)19-7-6-13-9-14(20)10-13/h8,11,13-14,20H,4-7,9-10H2,1-3H3,(H,19,21)
InChIKeyOJXAUPRLRZMYHS-UHFFFAOYSA-N
XLogP2.74
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-oxo-6-pentan-2-yl-N-(piperidin-4-ylmethyl)pyran-3-carboxamide;hydrochloride
CID 171713320
4-methyl-2-oxo-6-pentan-2-yl-N-(4-pyrrolidin-1-ylbutyl)pyran-3-carboxamide
CID 170512627
3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-pentan-2-ylpyran-2-one
CID 170503893
4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170502855
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170512984
4-methyl-6-pentan-2-yl-3-(piperidine-1-carbonyl)pyran-2-one
CID 169418871
N,4-dimethyl-N-[3-(methylamino)-3-oxopropyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170503675
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170508082
4-methyl-2-oxo-6-pentan-2-yl-N-(4-piperazin-1-ylphenyl)pyran-3-carboxamide
CID 170513264
4-methyl-N-(4-methyl-2-pyridinyl)-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170505873
4-methyl-N-[2-methyl-5-(6-oxo-1H-pyridazin-3-yl)phenyl]-2-oxo-6-pentan-2-ylpyran-3-carboxamide
CID 170505762
4-methyl-2-oxo-6-pentan-2-yl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-3-carboxamide
CID 170504386

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-hydroxycyclobutyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The IUPAC name of N-[2-(3-hydroxycyclobutyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide (CID 170504979) is N-[2-(3-hydroxycyclobutyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide.
What is the SMILES notation for N-[2-(3-hydroxycyclobutyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The canonical SMILES for N-[2-(3-hydroxycyclobutyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide is CCCC(C)c1cc(C)c(C(=O)NCCC2CC(O)C2)c(=O)o1.
What is the InChIKey of N-[2-(3-hydroxycyclobutyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
The InChIKey is OJXAUPRLRZMYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-4-5-11(2)15-8-12(3)16(18(22)23-15)17(21)19-7-6-13-9-14(20)10-13/h8,11,13-14,20H,4-7,9-10H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(3-hydroxycyclobutyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide?
N-[2-(3-hydroxycyclobutyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxycyclobutyl)ethyl]-4-methyl-2-oxo-6-pentan-2-ylpyran-3-carboxamide is sourced from PubChem (CID 170504979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).