N-(cyclohexylmethyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide

C20H23NO4 — CID 42226995

IUPACN-(cyclohexylmethyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
SMILESO=C(NCC1CCCCC1)c1cc(=O)c(OCc2ccccc2)co1
InChIInChI=1S/C20H23NO4/c22-17-11-18(20(23)21-12-15-7-3-1-4-8-15)25-14-19(17)24-13-16-9-5-2-6-10-16/h2,5-6,9-11,14-15H,1,3-4,7-8,12-13H2,(H,21,23)
InChIKeyNFIOJZNGOSWYEA-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.53
Rot. Bonds6

About N-(cyclohexylmethyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide

N-(cyclohexylmethyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide (PubChem CID 42226995) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
PubChem CID42226995
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-(cyclohexylmethyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide
SMILESO=C(NCC1CCCCC1)c1cc(=O)c(OCc2ccccc2)co1
InChIInChI=1S/C20H23NO4/c22-17-11-18(20(23)21-12-15-7-3-1-4-8-15)25-14-19(17)24-13-16-9-5-2-6-10-16/h2,5-6,9-11,14-15H,1,3-4,7-8,12-13H2,(H,21,23)
InChIKeyNFIOJZNGOSWYEA-UHFFFAOYSA-N
XLogP3.53
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide (CID 42226995) is N-(cyclohexylmethyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide is O=C(NCC1CCCCC1)c1cc(=O)c(OCc2ccccc2)co1.
What is the InChIKey of N-(cyclohexylmethyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide?
The InChIKey is NFIOJZNGOSWYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c22-17-11-18(20(23)21-12-15-7-3-1-4-8-15)25-14-19(17)24-13-16-9-5-2-6-10-16/h2,5-6,9-11,14-15H,1,3-4,7-8,12-13H2,(H,21,23).
What are the key properties of N-(cyclohexylmethyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide?
N-(cyclohexylmethyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-oxo-5-phenylmethoxypyran-2-carboxamide is sourced from PubChem (CID 42226995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).