2-phenyl-N-(6-pyrrolidin-1-ylcyclohex-3-en-1-yl)propanamide

C19H26N2O — CID 57122586

IUPAC2-phenyl-N-(6-pyrrolidin-1-ylcyclohex-3-en-1-yl)propanamide
SMILESCC(C(=O)NC1CC=CCC1N1CCCC1)c1ccccc1
InChIInChI=1S/C19H26N2O/c1-15(16-9-3-2-4-10-16)19(22)20-17-11-5-6-12-18(17)21-13-7-8-14-21/h2-6,9-10,15,17-18H,7-8,11-14H2,1H3,(H,20,22)
InChIKeySSFJBRWBIJAIIY-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.09
Rot. Bonds4

About 2-phenyl-N-(6-pyrrolidin-1-ylcyclohex-3-en-1-yl)propanamide

2-phenyl-N-(6-pyrrolidin-1-ylcyclohex-3-en-1-yl)propanamide (PubChem CID 57122586) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-phenyl-N-(6-pyrrolidin-1-ylcyclohex-3-en-1-yl)propanamide.

Molecular Properties

Compound Name2-phenyl-N-(6-pyrrolidin-1-ylcyclohex-3-en-1-yl)propanamide
PubChem CID57122586
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name2-phenyl-N-(6-pyrrolidin-1-ylcyclohex-3-en-1-yl)propanamide
SMILESCC(C(=O)NC1CC=CCC1N1CCCC1)c1ccccc1
InChIInChI=1S/C19H26N2O/c1-15(16-9-3-2-4-10-16)19(22)20-17-11-5-6-12-18(17)21-13-7-8-14-21/h2-6,9-10,15,17-18H,7-8,11-14H2,1H3,(H,20,22)
InChIKeySSFJBRWBIJAIIY-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenylpropanamide
CID 18646616
2-phenoxy-N-(2-pyrrolidin-1-ylcyclohexyl)propanamide
CID 57215948
cis-(1S,3R)-3-[[(2S)-2-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120690493
2-phenyl-N-(3-phenylpiperidin-4-yl)propanamide
CID 11500528
N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide
CID 70273214
methyl 4-(2-phenylpropanoylamino)cyclohexane-1-carboxylate
CID 104917471
2-phenyl-N-prop-2-ynylpropanamide
CID 104916558
methyl 4-(4-benzylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylate
CID 67598171
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylpropanamide
CID 70678323
(2R)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-phenylpropanamide
CID 98789122
N-(2,2-dichloro-3,3-dimethylcyclopropyl)-2-phenylpropanamide
CID 70499721
(2S)-2-phenyl-N-sulfanylpropanamide
CID 146642681

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(6-pyrrolidin-1-ylcyclohex-3-en-1-yl)propanamide?
The IUPAC name of 2-phenyl-N-(6-pyrrolidin-1-ylcyclohex-3-en-1-yl)propanamide (CID 57122586) is 2-phenyl-N-(6-pyrrolidin-1-ylcyclohex-3-en-1-yl)propanamide.
What is the SMILES notation for 2-phenyl-N-(6-pyrrolidin-1-ylcyclohex-3-en-1-yl)propanamide?
The canonical SMILES for 2-phenyl-N-(6-pyrrolidin-1-ylcyclohex-3-en-1-yl)propanamide is CC(C(=O)NC1CC=CCC1N1CCCC1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-(6-pyrrolidin-1-ylcyclohex-3-en-1-yl)propanamide?
The InChIKey is SSFJBRWBIJAIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-15(16-9-3-2-4-10-16)19(22)20-17-11-5-6-12-18(17)21-13-7-8-14-21/h2-6,9-10,15,17-18H,7-8,11-14H2,1H3,(H,20,22).
What are the key properties of 2-phenyl-N-(6-pyrrolidin-1-ylcyclohex-3-en-1-yl)propanamide?
2-phenyl-N-(6-pyrrolidin-1-ylcyclohex-3-en-1-yl)propanamide has a molecular weight of 298.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(6-pyrrolidin-1-ylcyclohex-3-en-1-yl)propanamide is sourced from PubChem (CID 57122586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).