[2-(4-ethoxy-3-fluorophenyl)-2-methylpropyl]carbamic acid

C13H18FNO3 — CID 115171411

IUPAC[2-(4-ethoxy-3-fluorophenyl)-2-methylpropyl]carbamic acid
SMILESCCOc1ccc(C(C)(C)CNC(=O)O)cc1F
InChIInChI=1S/C13H18FNO3/c1-4-18-11-6-5-9(7-10(11)14)13(2,3)8-15-12(16)17/h5-7,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyJZZPMDUTBQEGEA-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.77
Rot. Bonds5

About [2-(4-ethoxy-3-fluorophenyl)-2-methylpropyl]carbamic acid

[2-(4-ethoxy-3-fluorophenyl)-2-methylpropyl]carbamic acid (PubChem CID 115171411) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is [2-(4-ethoxy-3-fluorophenyl)-2-methylpropyl]carbamic acid.

Molecular Properties

Compound Name[2-(4-ethoxy-3-fluorophenyl)-2-methylpropyl]carbamic acid
PubChem CID115171411
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name[2-(4-ethoxy-3-fluorophenyl)-2-methylpropyl]carbamic acid
SMILESCCOc1ccc(C(C)(C)CNC(=O)O)cc1F
InChIInChI=1S/C13H18FNO3/c1-4-18-11-6-5-9(7-10(11)14)13(2,3)8-15-12(16)17/h5-7,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyJZZPMDUTBQEGEA-UHFFFAOYSA-N
XLogP2.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid
CID 115171370
N-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]acetamide
CID 115191437
[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]urea
CID 115168787
3-amino-3-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 82292934
N-[2-(3-chloro-4-ethoxyphenyl)-2-methylpropyl]acetamide
CID 115191439
2-(4-ethoxy-3-fluorophenyl)-2,4-dimethylpentanoic acid
CID 112519778
4-(1,1-difluoropropyl)-1-ethoxy-2-fluorobenzene
CID 116841263
methyl 2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142662
2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid
CID 4992587
N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176125
N'-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227492
4-ethoxy-3-methoxy-N-(2-methyl-2-phenylpropyl)benzamide
CID 39700417

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxy-3-fluorophenyl)-2-methylpropyl]carbamic acid?
The IUPAC name of [2-(4-ethoxy-3-fluorophenyl)-2-methylpropyl]carbamic acid (CID 115171411) is [2-(4-ethoxy-3-fluorophenyl)-2-methylpropyl]carbamic acid.
What is the SMILES notation for [2-(4-ethoxy-3-fluorophenyl)-2-methylpropyl]carbamic acid?
The canonical SMILES for [2-(4-ethoxy-3-fluorophenyl)-2-methylpropyl]carbamic acid is CCOc1ccc(C(C)(C)CNC(=O)O)cc1F.
What is the InChIKey of [2-(4-ethoxy-3-fluorophenyl)-2-methylpropyl]carbamic acid?
The InChIKey is JZZPMDUTBQEGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-4-18-11-6-5-9(7-10(11)14)13(2,3)8-15-12(16)17/h5-7,15H,4,8H2,1-3H3,(H,16,17).
What are the key properties of [2-(4-ethoxy-3-fluorophenyl)-2-methylpropyl]carbamic acid?
[2-(4-ethoxy-3-fluorophenyl)-2-methylpropyl]carbamic acid has a molecular weight of 255.29 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxy-3-fluorophenyl)-2-methylpropyl]carbamic acid is sourced from PubChem (CID 115171411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).