1-(2,5-dimethoxy-4-propylphenyl)propan-2-yl carbamate

C15H23NO4 — CID 175601571

IUPAC1-(2,5-dimethoxy-4-propylphenyl)propan-2-yl carbamate
SMILESCCCc1cc(OC)c(CC(C)OC(N)=O)cc1OC
InChIInChI=1S/C15H23NO4/c1-5-6-11-8-14(19-4)12(9-13(11)18-3)7-10(2)20-15(16)17/h8-10H,5-7H2,1-4H3,(H2,16,17)
InChIKeyMXSXGBWRVSLOGI-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.68
Rot. Bonds7

About 1-(2,5-dimethoxy-4-propylphenyl)propan-2-yl carbamate

1-(2,5-dimethoxy-4-propylphenyl)propan-2-yl carbamate (PubChem CID 175601571) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-4-propylphenyl)propan-2-yl carbamate.

Molecular Properties

Compound Name1-(2,5-dimethoxy-4-propylphenyl)propan-2-yl carbamate
PubChem CID175601571
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name1-(2,5-dimethoxy-4-propylphenyl)propan-2-yl carbamate
SMILESCCCc1cc(OC)c(CC(C)OC(N)=O)cc1OC
InChIInChI=1S/C15H23NO4/c1-5-6-11-8-14(19-4)12(9-13(11)18-3)7-10(2)20-15(16)17/h8-10H,5-7H2,1-4H3,(H2,16,17)
InChIKeyMXSXGBWRVSLOGI-UHFFFAOYSA-N
XLogP2.68
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2,5-dimethoxy-4-propylphenyl)propan-2-amine
CID 121489695
3-(4-methoxy-3-propylphenyl)-2-methylpropanoic acid
CID 70957387
(2-methoxy-5-methyl-4-propylphenyl) 2-methylbutanoate
CID 178057151
2-hydroxy-5,6-dimethoxy-3-propylbenzamide
CID 18625107
1-O-[[4-[(2-bromo-3-ethoxy-3-oxopropanoyl)oxymethyl]-2,5-dimethoxyphenyl]methyl] 3-O-ethyl 2-bromopropanedioate
CID 101230772
[2-methoxy-5-[(4-methoxy-5-methoxycarbonyloxy-2-propylphenyl)methyl]-4-propylphenyl] methyl carbonate
CID 175925760
1-[4-(2-aminoethyl)-2,5-dimethoxyphenyl]-2-methylpropan-1-one
CID 171534658
butyl N-[1-[4-(4-fluorobutyl)-2,5-dimethoxyphenyl]propan-2-yl]carbamate
CID 170982889
1-[2,5-dimethoxy-4-(2-methylsulfinylethyl)phenyl]propan-2-amine
CID 69398597
1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine
CID 165123636
2-methoxy-4-(2-methylpropyl)-1-propylbenzene
CID 90998331
ethyl 3-(2,4,5-trimethoxyphenyl)propanoate
CID 66702332

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-4-propylphenyl)propan-2-yl carbamate?
The IUPAC name of 1-(2,5-dimethoxy-4-propylphenyl)propan-2-yl carbamate (CID 175601571) is 1-(2,5-dimethoxy-4-propylphenyl)propan-2-yl carbamate.
What is the SMILES notation for 1-(2,5-dimethoxy-4-propylphenyl)propan-2-yl carbamate?
The canonical SMILES for 1-(2,5-dimethoxy-4-propylphenyl)propan-2-yl carbamate is CCCc1cc(OC)c(CC(C)OC(N)=O)cc1OC.
What is the InChIKey of 1-(2,5-dimethoxy-4-propylphenyl)propan-2-yl carbamate?
The InChIKey is MXSXGBWRVSLOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-5-6-11-8-14(19-4)12(9-13(11)18-3)7-10(2)20-15(16)17/h8-10H,5-7H2,1-4H3,(H2,16,17).
What are the key properties of 1-(2,5-dimethoxy-4-propylphenyl)propan-2-yl carbamate?
1-(2,5-dimethoxy-4-propylphenyl)propan-2-yl carbamate has a molecular weight of 281.35 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-4-propylphenyl)propan-2-yl carbamate is sourced from PubChem (CID 175601571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).