N-cyclohexyl-2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetamide

C17H26N2O2 — CID 83209831

IUPACN-cyclohexyl-2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetamide
SMILESO=C(Cn1cc2c(c1)C(O)CCCC2)NC1CCCCC1
InChIInChI=1S/C17H26N2O2/c20-16-9-5-4-6-13-10-19(11-15(13)16)12-17(21)18-14-7-2-1-3-8-14/h10-11,14,16,20H,1-9,12H2,(H,18,21)
InChIKeyBZAAAICJKASWDP-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.70
Rot. Bonds3

About N-cyclohexyl-2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetamide

N-cyclohexyl-2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetamide (PubChem CID 83209831) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetamide
PubChem CID83209831
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-cyclohexyl-2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetamide
SMILESO=C(Cn1cc2c(c1)C(O)CCCC2)NC1CCCCC1
InChIInChI=1S/C17H26N2O2/c20-16-9-5-4-6-13-10-19(11-15(13)16)12-17(21)18-14-7-2-1-3-8-14/h10-11,14,16,20H,1-9,12H2,(H,18,21)
InChIKeyBZAAAICJKASWDP-UHFFFAOYSA-N
XLogP2.70
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetamide (CID 83209831) is N-cyclohexyl-2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetamide is O=C(Cn1cc2c(c1)C(O)CCCC2)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetamide?
The InChIKey is BZAAAICJKASWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c20-16-9-5-4-6-13-10-19(11-15(13)16)12-17(21)18-14-7-2-1-3-8-14/h10-11,14,16,20H,1-9,12H2,(H,18,21).
What are the key properties of N-cyclohexyl-2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetamide?
N-cyclohexyl-2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-hydroxy-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl)acetamide is sourced from PubChem (CID 83209831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).