N-[(5S)-5-methyl-2-(pyridin-3-ylmethoxy)cyclohexen-1-yl]acetamide

C15H20N2O2 — CID 142096015

IUPACN-[(5S)-5-methyl-2-(pyridin-3-ylmethoxy)cyclohexen-1-yl]acetamide
SMILESCC(=O)NC1=C(OCc2cccnc2)CC[C@H](C)C1
InChIInChI=1S/C15H20N2O2/c1-11-5-6-15(14(8-11)17-12(2)18)19-10-13-4-3-7-16-9-13/h3-4,7,9,11H,5-6,8,10H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyHCMYHTBROKEEOF-NSHDSACASA-N
MW260.34 g/mol
LogP2.77
Rot. Bonds4

About N-[(5S)-5-methyl-2-(pyridin-3-ylmethoxy)cyclohexen-1-yl]acetamide

N-[(5S)-5-methyl-2-(pyridin-3-ylmethoxy)cyclohexen-1-yl]acetamide (PubChem CID 142096015) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(5S)-5-methyl-2-(pyridin-3-ylmethoxy)cyclohexen-1-yl]acetamide.

Molecular Properties

Compound NameN-[(5S)-5-methyl-2-(pyridin-3-ylmethoxy)cyclohexen-1-yl]acetamide
PubChem CID142096015
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[(5S)-5-methyl-2-(pyridin-3-ylmethoxy)cyclohexen-1-yl]acetamide
SMILESCC(=O)NC1=C(OCc2cccnc2)CC[C@H](C)C1
InChIInChI=1S/C15H20N2O2/c1-11-5-6-15(14(8-11)17-12(2)18)19-10-13-4-3-7-16-9-13/h3-4,7,9,11H,5-6,8,10H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyHCMYHTBROKEEOF-NSHDSACASA-N
XLogP2.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(cyclopropylmethylamino)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
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N-[6-(pyridin-3-ylmethoxy)quinolin-8-yl]acetamide
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N-(4-methylcyclohexyl)-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
CID 72689163
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
4-methylsulfanyl-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 78890950
N-(1-acetylpiperidin-4-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
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[2-(pyridin-3-ylmethoxy)phenyl]boronic acid
CID 43145276
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
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CID 86887909

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-5-methyl-2-(pyridin-3-ylmethoxy)cyclohexen-1-yl]acetamide?
The IUPAC name of N-[(5S)-5-methyl-2-(pyridin-3-ylmethoxy)cyclohexen-1-yl]acetamide (CID 142096015) is N-[(5S)-5-methyl-2-(pyridin-3-ylmethoxy)cyclohexen-1-yl]acetamide.
What is the SMILES notation for N-[(5S)-5-methyl-2-(pyridin-3-ylmethoxy)cyclohexen-1-yl]acetamide?
The canonical SMILES for N-[(5S)-5-methyl-2-(pyridin-3-ylmethoxy)cyclohexen-1-yl]acetamide is CC(=O)NC1=C(OCc2cccnc2)CC[C@H](C)C1.
What is the InChIKey of N-[(5S)-5-methyl-2-(pyridin-3-ylmethoxy)cyclohexen-1-yl]acetamide?
The InChIKey is HCMYHTBROKEEOF-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-5-6-15(14(8-11)17-12(2)18)19-10-13-4-3-7-16-9-13/h3-4,7,9,11H,5-6,8,10H2,1-2H3,(H,17,18)/t11-/m0/s1.
What are the key properties of N-[(5S)-5-methyl-2-(pyridin-3-ylmethoxy)cyclohexen-1-yl]acetamide?
N-[(5S)-5-methyl-2-(pyridin-3-ylmethoxy)cyclohexen-1-yl]acetamide has a molecular weight of 260.34 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-5-methyl-2-(pyridin-3-ylmethoxy)cyclohexen-1-yl]acetamide is sourced from PubChem (CID 142096015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).