butyl N-[1-[4-(4-fluorobutyl)-2,5-dimethoxyphenyl]propan-2-yl]carbamate

C20H32FNO4 — CID 170982889

IUPACbutyl N-[1-[4-(4-fluorobutyl)-2,5-dimethoxyphenyl]propan-2-yl]carbamate
SMILESCCCCOC(=O)NC(C)Cc1cc(OC)c(CCCCF)cc1OC
InChIInChI=1S/C20H32FNO4/c1-5-6-11-26-20(23)22-15(2)12-17-14-18(24-3)16(9-7-8-10-21)13-19(17)25-4/h13-15H,5-12H2,1-4H3,(H,22,23)
InChIKeyXEUARQUUBFWYLO-UHFFFAOYSA-N
MW369.48 g/mol
LogP4.45
Rot. Bonds12

About butyl N-[1-[4-(4-fluorobutyl)-2,5-dimethoxyphenyl]propan-2-yl]carbamate

butyl N-[1-[4-(4-fluorobutyl)-2,5-dimethoxyphenyl]propan-2-yl]carbamate (PubChem CID 170982889) has the molecular formula C20H32FNO4 and a molecular weight of 369.48 g/mol. Its IUPAC name is butyl N-[1-[4-(4-fluorobutyl)-2,5-dimethoxyphenyl]propan-2-yl]carbamate.

Molecular Properties

Compound Namebutyl N-[1-[4-(4-fluorobutyl)-2,5-dimethoxyphenyl]propan-2-yl]carbamate
PubChem CID170982889
Molecular FormulaC20H32FNO4
Molecular Weight369.48 g/mol
Exact Mass369.23
IUPAC Namebutyl N-[1-[4-(4-fluorobutyl)-2,5-dimethoxyphenyl]propan-2-yl]carbamate
SMILESCCCCOC(=O)NC(C)Cc1cc(OC)c(CCCCF)cc1OC
InChIInChI=1S/C20H32FNO4/c1-5-6-11-26-20(23)22-15(2)12-17-14-18(24-3)16(9-7-8-10-21)13-19(17)25-4/h13-15H,5-12H2,1-4H3,(H,22,23)
InChIKeyXEUARQUUBFWYLO-UHFFFAOYSA-N
XLogP4.45
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2,5-dimethoxy-4-(2-methoxyethyl)phenyl]propan-2-yl]-2,2,2-trifluoroacetamide
CID 90952710
3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine
CID 176899183
1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine
CID 165123636
butyl N-(1-iodopropan-2-yl)carbamate
CID 54517423
1-(2,5-dimethoxy-4-propylphenyl)propan-2-yl carbamate
CID 175601571
1-[2,5-dimethoxy-4-(5,5,5-trifluoropentyl)phenyl]butan-2-ylcarbamic acid
CID 174165006
1-[2,5-dimethoxy-4-(11-propoxyundecyl)phenyl]propan-2-amine;1-(2-propoxyethoxy)propane
CID 142098543
butyl N-(1-aminoethyl)carbamate
CID 87930052
butyl N-[1-(3,4-dihydroxyphenyl)ethyl]carbamate
CID 69048784
(2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine
CID 121489695
tert-butyl N-[1-(4-cyano-2,5-dimethoxyphenyl)propan-2-yl]carbamate
CID 165123500
[4-[2-(butoxycarbonylamino)propyl]phenoxy]methylphosphonic acid
CID 67683733

Frequently Asked Questions

What is the IUPAC name of butyl N-[1-[4-(4-fluorobutyl)-2,5-dimethoxyphenyl]propan-2-yl]carbamate?
The IUPAC name of butyl N-[1-[4-(4-fluorobutyl)-2,5-dimethoxyphenyl]propan-2-yl]carbamate (CID 170982889) is butyl N-[1-[4-(4-fluorobutyl)-2,5-dimethoxyphenyl]propan-2-yl]carbamate.
What is the SMILES notation for butyl N-[1-[4-(4-fluorobutyl)-2,5-dimethoxyphenyl]propan-2-yl]carbamate?
The canonical SMILES for butyl N-[1-[4-(4-fluorobutyl)-2,5-dimethoxyphenyl]propan-2-yl]carbamate is CCCCOC(=O)NC(C)Cc1cc(OC)c(CCCCF)cc1OC.
What is the InChIKey of butyl N-[1-[4-(4-fluorobutyl)-2,5-dimethoxyphenyl]propan-2-yl]carbamate?
The InChIKey is XEUARQUUBFWYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FNO4/c1-5-6-11-26-20(23)22-15(2)12-17-14-18(24-3)16(9-7-8-10-21)13-19(17)25-4/h13-15H,5-12H2,1-4H3,(H,22,23).
What are the key properties of butyl N-[1-[4-(4-fluorobutyl)-2,5-dimethoxyphenyl]propan-2-yl]carbamate?
butyl N-[1-[4-(4-fluorobutyl)-2,5-dimethoxyphenyl]propan-2-yl]carbamate has a molecular weight of 369.48 g/mol, XLogP of 4.45, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[1-[4-(4-fluorobutyl)-2,5-dimethoxyphenyl]propan-2-yl]carbamate is sourced from PubChem (CID 170982889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).