N-methyl-5-(3-methylphenoxy)-N-(3,3,3-trifluoropropyl)pentanamide

C16H22F3NO2 — CID 86841292

IUPACN-methyl-5-(3-methylphenoxy)-N-(3,3,3-trifluoropropyl)pentanamide
SMILESCc1cccc(OCCCCC(=O)N(C)CCC(F)(F)F)c1
InChIInChI=1S/C16H22F3NO2/c1-13-6-5-7-14(12-13)22-11-4-3-8-15(21)20(2)10-9-16(17,18)19/h5-7,12H,3-4,8-11H2,1-2H3
InChIKeyJTTQXRRVCBBCCN-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.95
Rot. Bonds8

About N-methyl-5-(3-methylphenoxy)-N-(3,3,3-trifluoropropyl)pentanamide

N-methyl-5-(3-methylphenoxy)-N-(3,3,3-trifluoropropyl)pentanamide (PubChem CID 86841292) has the molecular formula C16H22F3NO2 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-methyl-5-(3-methylphenoxy)-N-(3,3,3-trifluoropropyl)pentanamide.

Molecular Properties

Compound NameN-methyl-5-(3-methylphenoxy)-N-(3,3,3-trifluoropropyl)pentanamide
PubChem CID86841292
Molecular FormulaC16H22F3NO2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC NameN-methyl-5-(3-methylphenoxy)-N-(3,3,3-trifluoropropyl)pentanamide
SMILESCc1cccc(OCCCCC(=O)N(C)CCC(F)(F)F)c1
InChIInChI=1S/C16H22F3NO2/c1-13-6-5-7-14(12-13)22-11-4-3-8-15(21)20(2)10-9-16(17,18)19/h5-7,12H,3-4,8-11H2,1-2H3
InChIKeyJTTQXRRVCBBCCN-UHFFFAOYSA-N
XLogP3.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 55149658
3-amino-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide;hydrochloride
CID 119274543
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62492492
N-(3-hydroxybutyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 115691597
2,2-dimethyl-4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 65302126
N-(2-hydroxyethyl)-3-(3-methylphenoxy)-N-(2,2,2-trifluoroethyl)propanamide
CID 103915390
N-methyl-5-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)pentanamide
CID 47488024
N,N-dimethyl-3-(3-methylphenoxy)propanamide
CID 60637097
N,N-bis(2-hydroxyethyl)-4-(3-methylphenoxy)butanamide
CID 60653323
2-(3-methoxyphenoxy)-N-methyl-N-(3,3,3-trifluoropropyl)acetamide
CID 86833595

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(3-methylphenoxy)-N-(3,3,3-trifluoropropyl)pentanamide?
The IUPAC name of N-methyl-5-(3-methylphenoxy)-N-(3,3,3-trifluoropropyl)pentanamide (CID 86841292) is N-methyl-5-(3-methylphenoxy)-N-(3,3,3-trifluoropropyl)pentanamide.
What is the SMILES notation for N-methyl-5-(3-methylphenoxy)-N-(3,3,3-trifluoropropyl)pentanamide?
The canonical SMILES for N-methyl-5-(3-methylphenoxy)-N-(3,3,3-trifluoropropyl)pentanamide is Cc1cccc(OCCCCC(=O)N(C)CCC(F)(F)F)c1.
What is the InChIKey of N-methyl-5-(3-methylphenoxy)-N-(3,3,3-trifluoropropyl)pentanamide?
The InChIKey is JTTQXRRVCBBCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO2/c1-13-6-5-7-14(12-13)22-11-4-3-8-15(21)20(2)10-9-16(17,18)19/h5-7,12H,3-4,8-11H2,1-2H3.
What are the key properties of N-methyl-5-(3-methylphenoxy)-N-(3,3,3-trifluoropropyl)pentanamide?
N-methyl-5-(3-methylphenoxy)-N-(3,3,3-trifluoropropyl)pentanamide has a molecular weight of 317.35 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(3-methylphenoxy)-N-(3,3,3-trifluoropropyl)pentanamide is sourced from PubChem (CID 86841292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).