N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-5-methoxy-4-oxopyran-2-carboxamide

C18H26N2O4 — CID 124873933

IUPACN-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-5-methoxy-4-oxopyran-2-carboxamide
SMILESCOc1coc(C(=O)NC[C@@H]2CCCN2C2CCCCC2)cc1=O
InChIInChI=1S/C18H26N2O4/c1-23-17-12-24-16(10-15(17)21)18(22)19-11-14-8-5-9-20(14)13-6-3-2-4-7-13/h10,12-14H,2-9,11H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyKVUDZDOMTUPJTR-AWEZNQCLSA-N
MW334.42 g/mol
LogP2.18
Rot. Bonds5

About N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-5-methoxy-4-oxopyran-2-carboxamide

N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-5-methoxy-4-oxopyran-2-carboxamide (PubChem CID 124873933) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-5-methoxy-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-5-methoxy-4-oxopyran-2-carboxamide
PubChem CID124873933
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-5-methoxy-4-oxopyran-2-carboxamide
SMILESCOc1coc(C(=O)NC[C@@H]2CCCN2C2CCCCC2)cc1=O
InChIInChI=1S/C18H26N2O4/c1-23-17-12-24-16(10-15(17)21)18(22)19-11-14-8-5-9-20(14)13-6-3-2-4-7-13/h10,12-14H,2-9,11H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyKVUDZDOMTUPJTR-AWEZNQCLSA-N
XLogP2.18
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-5-methoxy-4-oxopyran-2-carboxamide?
The IUPAC name of N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-5-methoxy-4-oxopyran-2-carboxamide (CID 124873933) is N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-5-methoxy-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-5-methoxy-4-oxopyran-2-carboxamide?
The canonical SMILES for N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-5-methoxy-4-oxopyran-2-carboxamide is COc1coc(C(=O)NC[C@@H]2CCCN2C2CCCCC2)cc1=O.
What is the InChIKey of N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-5-methoxy-4-oxopyran-2-carboxamide?
The InChIKey is KVUDZDOMTUPJTR-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-23-17-12-24-16(10-15(17)21)18(22)19-11-14-8-5-9-20(14)13-6-3-2-4-7-13/h10,12-14H,2-9,11H2,1H3,(H,19,22)/t14-/m0/s1.
What are the key properties of N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-5-methoxy-4-oxopyran-2-carboxamide?
N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-5-methoxy-4-oxopyran-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-cyclohexylpyrrolidin-2-yl]methyl]-5-methoxy-4-oxopyran-2-carboxamide is sourced from PubChem (CID 124873933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).