N-(4-fluorophenyl)-N-methyl-3-(2-methylpropoxy)propanamide

C14H20FNO2 — CID 87027884

IUPACN-(4-fluorophenyl)-N-methyl-3-(2-methylpropoxy)propanamide
SMILESCC(C)COCCC(=O)N(C)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-11(2)10-18-9-8-14(17)16(3)13-6-4-12(15)5-7-13/h4-7,11H,8-10H2,1-3H3
InChIKeyUWUBEMHGVDPFNI-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.85
Rot. Bonds6

About N-(4-fluorophenyl)-N-methyl-3-(2-methylpropoxy)propanamide

N-(4-fluorophenyl)-N-methyl-3-(2-methylpropoxy)propanamide (PubChem CID 87027884) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-3-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-3-(2-methylpropoxy)propanamide
PubChem CID87027884
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC NameN-(4-fluorophenyl)-N-methyl-3-(2-methylpropoxy)propanamide
SMILESCC(C)COCCC(=O)N(C)c1ccc(F)cc1
InChIInChI=1S/C14H20FNO2/c1-11(2)10-18-9-8-14(17)16(3)13-6-4-12(15)5-7-13/h4-7,11H,8-10H2,1-3H3
InChIKeyUWUBEMHGVDPFNI-UHFFFAOYSA-N
XLogP2.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.85
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

1-(4-fluorophenyl)-3-(2-methylpropoxy)propan-1-one
CID 43793380
1-(4-fluorophenyl)-4-(2-methylpropoxy)butan-1-one
CID 43793381
4-(4-fluoro-N-methylanilino)-2-methyl-4-oxobutanoic acid
CID 115165003
N-(4-fluorophenyl)-N-methylpent-4-ynamide
CID 86086919
7-amino-N-(4-fluorophenyl)-N-methylheptanamide
CID 119729880
5-(4-fluoro-N-methylanilino)-3-methyl-5-oxopentanoic acid
CID 62965611
N-(4-hydroxyphenyl)-N-methyl-3-propoxypropanamide
CID 62716161
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)-N-methylpropanamide
CID 94626292
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-(2-methylpropoxy)propanamide
CID 86985635
3-(1,3-dioxoisoindol-2-yl)-N-(4-fluorophenyl)-N-methylpropanamide
CID 94626265
1-(4-fluorophenyl)-2-(2-methylpropoxy)propan-1-one
CID 43798747
1-(4-fluorophenyl)-1-methyl-3-propan-2-ylurea
CID 115588406

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-3-(2-methylpropoxy)propanamide?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-3-(2-methylpropoxy)propanamide (CID 87027884) is N-(4-fluorophenyl)-N-methyl-3-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-3-(2-methylpropoxy)propanamide?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-3-(2-methylpropoxy)propanamide is CC(C)COCCC(=O)N(C)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-3-(2-methylpropoxy)propanamide?
The InChIKey is UWUBEMHGVDPFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-11(2)10-18-9-8-14(17)16(3)13-6-4-12(15)5-7-13/h4-7,11H,8-10H2,1-3H3.
What are the key properties of N-(4-fluorophenyl)-N-methyl-3-(2-methylpropoxy)propanamide?
N-(4-fluorophenyl)-N-methyl-3-(2-methylpropoxy)propanamide has a molecular weight of 253.32 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-3-(2-methylpropoxy)propanamide is sourced from PubChem (CID 87027884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).