N-[3-[2-[(E)-3-fluorohex-4-en-3-yl]-6-methyl-5-methylideneheptyl]cyclopent-3-en-1-yl]acetamide

C22H36FNO — CID 155036911

IUPACN-[3-[2-[(E)-3-fluorohex-4-en-3-yl]-6-methyl-5-methylideneheptyl]cyclopent-3-en-1-yl]acetamide
SMILESC=C(CCC(CC1=CCC(NC(C)=O)C1)C(F)(/C=C/C)CC)C(C)C
InChIInChI=1S/C22H36FNO/c1-7-13-22(23,8-2)20(11-9-17(5)16(3)4)14-19-10-12-21(15-19)24-18(6)25/h7,10,13,16,20-21H,5,8-9,11-12,14-15H2,1-4,6H3,(H,24,25)/b13-7+
InChIKeySSPKSGXGWAPXKP-NTUHNPAUSA-N
MW349.53 g/mol
LogP5.90
Rot. Bonds10

About N-[3-[2-[(E)-3-fluorohex-4-en-3-yl]-6-methyl-5-methylideneheptyl]cyclopent-3-en-1-yl]acetamide

N-[3-[2-[(E)-3-fluorohex-4-en-3-yl]-6-methyl-5-methylideneheptyl]cyclopent-3-en-1-yl]acetamide (PubChem CID 155036911) has the molecular formula C22H36FNO and a molecular weight of 349.53 g/mol. Its IUPAC name is N-[3-[2-[(E)-3-fluorohex-4-en-3-yl]-6-methyl-5-methylideneheptyl]cyclopent-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[(E)-3-fluorohex-4-en-3-yl]-6-methyl-5-methylideneheptyl]cyclopent-3-en-1-yl]acetamide
PubChem CID155036911
Molecular FormulaC22H36FNO
Molecular Weight349.53 g/mol
Exact Mass349.28
IUPAC NameN-[3-[2-[(E)-3-fluorohex-4-en-3-yl]-6-methyl-5-methylideneheptyl]cyclopent-3-en-1-yl]acetamide
SMILESC=C(CCC(CC1=CCC(NC(C)=O)C1)C(F)(/C=C/C)CC)C(C)C
InChIInChI=1S/C22H36FNO/c1-7-13-22(23,8-2)20(11-9-17(5)16(3)4)14-19-10-12-21(15-19)24-18(6)25/h7,10,13,16,20-21H,5,8-9,11-12,14-15H2,1-4,6H3,(H,24,25)/b13-7+
InChIKeySSPKSGXGWAPXKP-NTUHNPAUSA-N
XLogP5.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.53
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(+/-)N-(2-fluro-ethyl)-2,16-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
CID 5283440
(+/-)N-(2-fluro-ethyl)-2,17,17-trimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
CID 5283441
(+/-)N-(2-fluro-ethyl)-2,17-dimethyl-5Z,8Z,11Z,14Z-docosatetraenoyl amine
CID 5283442
(+/-)N-(2-fluro-ethyl)-2-methyl-5Z,8Z,11Z,14Z-tricosatetraenoyl amine
CID 5283443
2-fluoro-N-(2-methylicosa-5,8,11,14-tetraenyl)acetamide
CID 53829339
2-fluoro-N-[(5Z,8Z,11Z,14Z)-2-methylicosa-5,8,11,14-tetraenyl]acetamide
CID 11152713
N-[3-(4,7-dihydro-1-indanyl)propyl]-2,2,2-trifluoroacetamide
CID 22758132
(5R)-5-(fluoromethyl)-4-[(E)-pentadec-1-enyl]pyrrolidin-2-one
CID 71161033
2,2,2-trifluoro-N-[(4Z)-8-methylcyclooct-4-en-1-yl]acetamide
CID 121370346
2,2,2-trifluoro-N-[6-[2-[[(Z)-pentadec-6-enyl]amino]ethyl]-8-[(2,2,2-trifluoroacetyl)amino]octyl]acetamide
CID 139942215
N-[5,5-difluoro-8-(6-propan-2-yl-3-bicyclo[3.1.0]hex-1(5)-enyl)non-8-en-4-yl]acetamide
CID 155036919
N-[(6R)-5,6-dimethyl-3-(trifluoromethyl)cyclohept-2-en-1-yl]acetamide
CID 158607990

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(E)-3-fluorohex-4-en-3-yl]-6-methyl-5-methylideneheptyl]cyclopent-3-en-1-yl]acetamide?
The IUPAC name of N-[3-[2-[(E)-3-fluorohex-4-en-3-yl]-6-methyl-5-methylideneheptyl]cyclopent-3-en-1-yl]acetamide (CID 155036911) is N-[3-[2-[(E)-3-fluorohex-4-en-3-yl]-6-methyl-5-methylideneheptyl]cyclopent-3-en-1-yl]acetamide.
What is the SMILES notation for N-[3-[2-[(E)-3-fluorohex-4-en-3-yl]-6-methyl-5-methylideneheptyl]cyclopent-3-en-1-yl]acetamide?
The canonical SMILES for N-[3-[2-[(E)-3-fluorohex-4-en-3-yl]-6-methyl-5-methylideneheptyl]cyclopent-3-en-1-yl]acetamide is C=C(CCC(CC1=CCC(NC(C)=O)C1)C(F)(/C=C/C)CC)C(C)C.
What is the InChIKey of N-[3-[2-[(E)-3-fluorohex-4-en-3-yl]-6-methyl-5-methylideneheptyl]cyclopent-3-en-1-yl]acetamide?
The InChIKey is SSPKSGXGWAPXKP-NTUHNPAUSA-N. The full InChI is InChI=1S/C22H36FNO/c1-7-13-22(23,8-2)20(11-9-17(5)16(3)4)14-19-10-12-21(15-19)24-18(6)25/h7,10,13,16,20-21H,5,8-9,11-12,14-15H2,1-4,6H3,(H,24,25)/b13-7+.
What are the key properties of N-[3-[2-[(E)-3-fluorohex-4-en-3-yl]-6-methyl-5-methylideneheptyl]cyclopent-3-en-1-yl]acetamide?
N-[3-[2-[(E)-3-fluorohex-4-en-3-yl]-6-methyl-5-methylideneheptyl]cyclopent-3-en-1-yl]acetamide has a molecular weight of 349.53 g/mol, XLogP of 5.90, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(E)-3-fluorohex-4-en-3-yl]-6-methyl-5-methylideneheptyl]cyclopent-3-en-1-yl]acetamide is sourced from PubChem (CID 155036911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).