(Z)-3-fluoro-N-methoxy-N-methylpentadec-11-enamide

C17H32FNO2 — CID 134549815

IUPAC(Z)-3-fluoro-N-methoxy-N-methylpentadec-11-enamide
SMILESCCC/C=C\CCCCCCCC(F)CC(=O)N(C)OC
InChIInChI=1S/C17H32FNO2/c1-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(20)19(2)21-3/h6-7,16H,4-5,8-15H2,1-3H3/b7-6-
InChIKeyFIUIKDCLPRNLLY-SREVYHEPSA-N
MW301.45 g/mol
LogP4.82
Rot. Bonds13

About (Z)-3-fluoro-N-methoxy-N-methylpentadec-11-enamide

(Z)-3-fluoro-N-methoxy-N-methylpentadec-11-enamide (PubChem CID 134549815) has the molecular formula C17H32FNO2 and a molecular weight of 301.45 g/mol. Its IUPAC name is (Z)-3-fluoro-N-methoxy-N-methylpentadec-11-enamide.

Molecular Properties

Compound Name(Z)-3-fluoro-N-methoxy-N-methylpentadec-11-enamide
PubChem CID134549815
Molecular FormulaC17H32FNO2
Molecular Weight301.45 g/mol
Exact Mass301.24
IUPAC Name(Z)-3-fluoro-N-methoxy-N-methylpentadec-11-enamide
SMILESCCC/C=C\CCCCCCCC(F)CC(=O)N(C)OC
InChIInChI=1S/C17H32FNO2/c1-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(20)19(2)21-3/h6-7,16H,4-5,8-15H2,1-3H3/b7-6-
InChIKeyFIUIKDCLPRNLLY-SREVYHEPSA-N
XLogP4.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.45
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-methoxy-N-methyloctadec-9-enamide
CID 10903483
(20Z,23Z)-N,N-dimethylnonacosa-20,23-dien-10-amine;(11Z,14Z)-N-methoxy-N-methylicosa-11,14-dienamide
CID 161442718
N,N-dimethyl-3-nonyldocos-13-enamide
CID 123595893
methyl (E,12R)-12-fluorooctadec-9-enoate
CID 177494328
methyl [(E)-oct-4-enyl] carbonate
CID 118976612
methyl 3-fluorononanoate
CID 57115724
dodec-8-ene-1,1-diol
CID 90860381
acetic acid;2-fluorotetradec-11-en-1-ol
CID 71350090
methyl 19-[2-(dimethylamino)-2-oxoethyl]octacos-9-enoate
CID 123347647
1-fluorohexadec-11-enyl acetate
CID 173348384
(3R)-N-methoxy-N-methyl-3-(trideuteriomethyl)heptanamide
CID 71749998
N-(dimethoxymethoxy)methanamine;(Z)-N-methoxy-N-methyloctadec-9-enamide;(Z)-octadec-9-enoic acid
CID 158793005

Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-N-methoxy-N-methylpentadec-11-enamide?
The IUPAC name of (Z)-3-fluoro-N-methoxy-N-methylpentadec-11-enamide (CID 134549815) is (Z)-3-fluoro-N-methoxy-N-methylpentadec-11-enamide.
What is the SMILES notation for (Z)-3-fluoro-N-methoxy-N-methylpentadec-11-enamide?
The canonical SMILES for (Z)-3-fluoro-N-methoxy-N-methylpentadec-11-enamide is CCC/C=C\CCCCCCCC(F)CC(=O)N(C)OC.
What is the InChIKey of (Z)-3-fluoro-N-methoxy-N-methylpentadec-11-enamide?
The InChIKey is FIUIKDCLPRNLLY-SREVYHEPSA-N. The full InChI is InChI=1S/C17H32FNO2/c1-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(20)19(2)21-3/h6-7,16H,4-5,8-15H2,1-3H3/b7-6-.
What are the key properties of (Z)-3-fluoro-N-methoxy-N-methylpentadec-11-enamide?
(Z)-3-fluoro-N-methoxy-N-methylpentadec-11-enamide has a molecular weight of 301.45 g/mol, XLogP of 4.82, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-N-methoxy-N-methylpentadec-11-enamide is sourced from PubChem (CID 134549815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).