3-cyclohexyl-2-phenyl-N-(2-pyrrol-1-ylethyl)propanamide

C21H28N2O — CID 166328931

IUPAC3-cyclohexyl-2-phenyl-N-(2-pyrrol-1-ylethyl)propanamide
SMILESO=C(NCCn1cccc1)C(CC1CCCCC1)c1ccccc1
InChIInChI=1S/C21H28N2O/c24-21(22-13-16-23-14-7-8-15-23)20(19-11-5-2-6-12-19)17-18-9-3-1-4-10-18/h2,5-8,11-12,14-15,18,20H,1,3-4,9-10,13,16-17H2,(H,22,24)
InChIKeyUIKLWQVXQUABTA-UHFFFAOYSA-N
MW324.47 g/mol
LogP4.36
Rot. Bonds7

About 3-cyclohexyl-2-phenyl-N-(2-pyrrol-1-ylethyl)propanamide

3-cyclohexyl-2-phenyl-N-(2-pyrrol-1-ylethyl)propanamide (PubChem CID 166328931) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-cyclohexyl-2-phenyl-N-(2-pyrrol-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-2-phenyl-N-(2-pyrrol-1-ylethyl)propanamide
PubChem CID166328931
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name3-cyclohexyl-2-phenyl-N-(2-pyrrol-1-ylethyl)propanamide
SMILESO=C(NCCn1cccc1)C(CC1CCCCC1)c1ccccc1
InChIInChI=1S/C21H28N2O/c24-21(22-13-16-23-14-7-8-15-23)20(19-11-5-2-6-12-19)17-18-9-3-1-4-10-18/h2,5-8,11-12,14-15,18,20H,1,3-4,9-10,13,16-17H2,(H,22,24)
InChIKeyUIKLWQVXQUABTA-UHFFFAOYSA-N
XLogP4.36
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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ethyl (2R)-3-cyclopentyl-2-phenylpropanoate
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3-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylpropanamide
CID 62877335
1-cyclohexyl-3-(2-pyrrol-1-ylethyl)urea
CID 110747679
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2-amino-N-(2-cyclopentylethyl)-2-phenylacetamide;hydrochloride
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(2S)-3-(4-hydroxyphenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-phenyl-N-(2-pyrrol-1-ylethyl)propanamide?
The IUPAC name of 3-cyclohexyl-2-phenyl-N-(2-pyrrol-1-ylethyl)propanamide (CID 166328931) is 3-cyclohexyl-2-phenyl-N-(2-pyrrol-1-ylethyl)propanamide.
What is the SMILES notation for 3-cyclohexyl-2-phenyl-N-(2-pyrrol-1-ylethyl)propanamide?
The canonical SMILES for 3-cyclohexyl-2-phenyl-N-(2-pyrrol-1-ylethyl)propanamide is O=C(NCCn1cccc1)C(CC1CCCCC1)c1ccccc1.
What is the InChIKey of 3-cyclohexyl-2-phenyl-N-(2-pyrrol-1-ylethyl)propanamide?
The InChIKey is UIKLWQVXQUABTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c24-21(22-13-16-23-14-7-8-15-23)20(19-11-5-2-6-12-19)17-18-9-3-1-4-10-18/h2,5-8,11-12,14-15,18,20H,1,3-4,9-10,13,16-17H2,(H,22,24).
What are the key properties of 3-cyclohexyl-2-phenyl-N-(2-pyrrol-1-ylethyl)propanamide?
3-cyclohexyl-2-phenyl-N-(2-pyrrol-1-ylethyl)propanamide has a molecular weight of 324.47 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-phenyl-N-(2-pyrrol-1-ylethyl)propanamide is sourced from PubChem (CID 166328931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).