3-[(5S)-3,5-difluorocyclohex-3-en-1-yl]-N-[(1S)-4-methylcyclohex-2-en-1-yl]-N-propylpropanamide

C19H29F2NO — CID 122647561

IUPAC3-[(5S)-3,5-difluorocyclohex-3-en-1-yl]-N-[(1S)-4-methylcyclohex-2-en-1-yl]-N-propylpropanamide
SMILESCCCN(C(=O)CCC1CC(F)=C[C@@H](F)C1)[C@@H]1C=CC(C)CC1
InChIInChI=1S/C19H29F2NO/c1-3-10-22(18-7-4-14(2)5-8-18)19(23)9-6-15-11-16(20)13-17(21)12-15/h4,7,13-16,18H,3,5-6,8-12H2,1-2H3/t14?,15?,16-,18+/m0/s1
InChIKeyASOVZIOOTUTLSR-UNGSAITNSA-N
MW325.44 g/mol
LogP4.96
Rot. Bonds6

About 3-[(5S)-3,5-difluorocyclohex-3-en-1-yl]-N-[(1S)-4-methylcyclohex-2-en-1-yl]-N-propylpropanamide

3-[(5S)-3,5-difluorocyclohex-3-en-1-yl]-N-[(1S)-4-methylcyclohex-2-en-1-yl]-N-propylpropanamide (PubChem CID 122647561) has the molecular formula C19H29F2NO and a molecular weight of 325.44 g/mol. Its IUPAC name is 3-[(5S)-3,5-difluorocyclohex-3-en-1-yl]-N-[(1S)-4-methylcyclohex-2-en-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(5S)-3,5-difluorocyclohex-3-en-1-yl]-N-[(1S)-4-methylcyclohex-2-en-1-yl]-N-propylpropanamide
PubChem CID122647561
Molecular FormulaC19H29F2NO
Molecular Weight325.44 g/mol
Exact Mass325.22
IUPAC Name3-[(5S)-3,5-difluorocyclohex-3-en-1-yl]-N-[(1S)-4-methylcyclohex-2-en-1-yl]-N-propylpropanamide
SMILESCCCN(C(=O)CCC1CC(F)=C[C@@H](F)C1)[C@@H]1C=CC(C)CC1
InChIInChI=1S/C19H29F2NO/c1-3-10-22(18-7-4-14(2)5-8-18)19(23)9-6-15-11-16(20)13-17(21)12-15/h4,7,13-16,18H,3,5-6,8-12H2,1-2H3/t14?,15?,16-,18+/m0/s1
InChIKeyASOVZIOOTUTLSR-UNGSAITNSA-N
XLogP4.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-[(6R)-6-cyclohexyl-3,6-dihydro-2H-pyridin-1-yl]-3,3-difluoro-2,2-dimethylbutan-1-one
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(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
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1-(6-cyclohexyl-3,6-dihydro-2H-pyridin-1-yl)-3,3-difluoro-2,2-dimethylbutan-1-one
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4,4,4-trifluoro-1-(4-pentan-2-yl-3,6-dihydro-2H-pyridin-1-yl)butan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-[(5S)-3,5-difluorocyclohex-3-en-1-yl]-N-[(1S)-4-methylcyclohex-2-en-1-yl]-N-propylpropanamide?
The IUPAC name of 3-[(5S)-3,5-difluorocyclohex-3-en-1-yl]-N-[(1S)-4-methylcyclohex-2-en-1-yl]-N-propylpropanamide (CID 122647561) is 3-[(5S)-3,5-difluorocyclohex-3-en-1-yl]-N-[(1S)-4-methylcyclohex-2-en-1-yl]-N-propylpropanamide.
What is the SMILES notation for 3-[(5S)-3,5-difluorocyclohex-3-en-1-yl]-N-[(1S)-4-methylcyclohex-2-en-1-yl]-N-propylpropanamide?
The canonical SMILES for 3-[(5S)-3,5-difluorocyclohex-3-en-1-yl]-N-[(1S)-4-methylcyclohex-2-en-1-yl]-N-propylpropanamide is CCCN(C(=O)CCC1CC(F)=C[C@@H](F)C1)[C@@H]1C=CC(C)CC1.
What is the InChIKey of 3-[(5S)-3,5-difluorocyclohex-3-en-1-yl]-N-[(1S)-4-methylcyclohex-2-en-1-yl]-N-propylpropanamide?
The InChIKey is ASOVZIOOTUTLSR-UNGSAITNSA-N. The full InChI is InChI=1S/C19H29F2NO/c1-3-10-22(18-7-4-14(2)5-8-18)19(23)9-6-15-11-16(20)13-17(21)12-15/h4,7,13-16,18H,3,5-6,8-12H2,1-2H3/t14?,15?,16-,18+/m0/s1.
What are the key properties of 3-[(5S)-3,5-difluorocyclohex-3-en-1-yl]-N-[(1S)-4-methylcyclohex-2-en-1-yl]-N-propylpropanamide?
3-[(5S)-3,5-difluorocyclohex-3-en-1-yl]-N-[(1S)-4-methylcyclohex-2-en-1-yl]-N-propylpropanamide has a molecular weight of 325.44 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5S)-3,5-difluorocyclohex-3-en-1-yl]-N-[(1S)-4-methylcyclohex-2-en-1-yl]-N-propylpropanamide is sourced from PubChem (CID 122647561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).