N-cycloheptyl-2-(4-pyrrol-1-ylphenyl)acetamide

C19H24N2O — CID 3303229

IUPACN-cycloheptyl-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-n2cccc2)cc1)NC1CCCCCC1
InChIInChI=1S/C19H24N2O/c22-19(20-17-7-3-1-2-4-8-17)15-16-9-11-18(12-10-16)21-13-5-6-14-21/h5-6,9-14,17H,1-4,7-8,15H2,(H,20,22)
InChIKeySLCKLCWWABSGCX-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.86
Rot. Bonds4

About N-cycloheptyl-2-(4-pyrrol-1-ylphenyl)acetamide

N-cycloheptyl-2-(4-pyrrol-1-ylphenyl)acetamide (PubChem CID 3303229) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-pyrrol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-pyrrol-1-ylphenyl)acetamide
PubChem CID3303229
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-cycloheptyl-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-n2cccc2)cc1)NC1CCCCCC1
InChIInChI=1S/C19H24N2O/c22-19(20-17-7-3-1-2-4-8-17)15-16-9-11-18(12-10-16)21-13-5-6-14-21/h5-6,9-14,17H,1-4,7-8,15H2,(H,20,22)
InChIKeySLCKLCWWABSGCX-UHFFFAOYSA-N
XLogP3.86
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-pyrrol-1-ylphenyl)acetamide?
The IUPAC name of N-cycloheptyl-2-(4-pyrrol-1-ylphenyl)acetamide (CID 3303229) is N-cycloheptyl-2-(4-pyrrol-1-ylphenyl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(4-pyrrol-1-ylphenyl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(4-pyrrol-1-ylphenyl)acetamide is O=C(Cc1ccc(-n2cccc2)cc1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-(4-pyrrol-1-ylphenyl)acetamide?
The InChIKey is SLCKLCWWABSGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c22-19(20-17-7-3-1-2-4-8-17)15-16-9-11-18(12-10-16)21-13-5-6-14-21/h5-6,9-14,17H,1-4,7-8,15H2,(H,20,22).
What are the key properties of N-cycloheptyl-2-(4-pyrrol-1-ylphenyl)acetamide?
N-cycloheptyl-2-(4-pyrrol-1-ylphenyl)acetamide has a molecular weight of 296.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-pyrrol-1-ylphenyl)acetamide is sourced from PubChem (CID 3303229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).