[5-(4-cyclohexyloxy-3-fluorophenyl)-3-methyltriazol-4-yl]methyl N-(1-cyclopropylethyl)-N-methylcarbamate

C23H31FN4O3 — CID 135379838

IUPAC[5-(4-cyclohexyloxy-3-fluorophenyl)-3-methyltriazol-4-yl]methyl N-(1-cyclopropylethyl)-N-methylcarbamate
SMILESCC(C1CC1)N(C)C(=O)OCc1c(-c2ccc(OC3CCCCC3)c(F)c2)nnn1C
InChIInChI=1S/C23H31FN4O3/c1-15(16-9-10-16)27(2)23(29)30-14-20-22(25-26-28(20)3)17-11-12-21(19(24)13-17)31-18-7-5-4-6-8-18/h11-13,15-16,18H,4-10,14H2,1-3H3
InChIKeyUAPYLMVRCHFHSN-UHFFFAOYSA-N
MW430.52 g/mol
LogP4.70
Rot. Bonds7

About [5-(4-cyclohexyloxy-3-fluorophenyl)-3-methyltriazol-4-yl]methyl N-(1-cyclopropylethyl)-N-methylcarbamate

[5-(4-cyclohexyloxy-3-fluorophenyl)-3-methyltriazol-4-yl]methyl N-(1-cyclopropylethyl)-N-methylcarbamate (PubChem CID 135379838) has the molecular formula C23H31FN4O3 and a molecular weight of 430.52 g/mol. Its IUPAC name is [5-(4-cyclohexyloxy-3-fluorophenyl)-3-methyltriazol-4-yl]methyl N-(1-cyclopropylethyl)-N-methylcarbamate.

Molecular Properties

Compound Name[5-(4-cyclohexyloxy-3-fluorophenyl)-3-methyltriazol-4-yl]methyl N-(1-cyclopropylethyl)-N-methylcarbamate
PubChem CID135379838
Molecular FormulaC23H31FN4O3
Molecular Weight430.52 g/mol
Exact Mass430.24
IUPAC Name[5-(4-cyclohexyloxy-3-fluorophenyl)-3-methyltriazol-4-yl]methyl N-(1-cyclopropylethyl)-N-methylcarbamate
SMILESCC(C1CC1)N(C)C(=O)OCc1c(-c2ccc(OC3CCCCC3)c(F)c2)nnn1C
InChIInChI=1S/C23H31FN4O3/c1-15(16-9-10-16)27(2)23(29)30-14-20-22(25-26-28(20)3)17-11-12-21(19(24)13-17)31-18-7-5-4-6-8-18/h11-13,15-16,18H,4-10,14H2,1-3H3
InChIKeyUAPYLMVRCHFHSN-UHFFFAOYSA-N
XLogP4.70
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(4-cyclohexyloxy-3-fluorophenyl)-3-methyltriazol-4-yl]methyl N-(1-cyclopropylethyl)-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-(3-fluorobutyl)-N-methylcarbamate
CID 154935891
trans-(1S,3S)-3-[4-[5-[[1-cyclopropylethyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-methylphenoxy]cyclohexane-1-carboxylic acid
CID 155151295
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-(1-ethylcyclopropyl)-N-methylcarbamate
CID 154936276
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-(1-fluoro-2-methylpropan-2-yl)-N-methylcarbamate
CID 135379546
[(1S,3S)-3-[4-[5-[[[cyclopentyl(methyl)carbamoyl]amino]methyl]-1-methyltriazol-4-yl]-2-fluorophenoxy]cyclohexyl] formate
CID 163614259
propan-2-yl (1S)-3-[4-[5-[[cyclopentyl(methyl)carbamoyl]oxymethyl]-1-methylpyrazol-4-yl]-2-fluorophenoxy]cyclohexane-1-carboxylate
CID 166853089
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-(3-fluoro-3-methylbutyl)-N-methylcarbamate
CID 154936017
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-ethyl-N-propylcarbamate
CID 154935976
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-methyl-N-(2-methylpentan-2-yl)carbamate
CID 145423839
3-[4-[4-[5-[[1-cyclobutylethyl(methyl)carbamoyl]oxymethyl]-1-methyltriazol-4-yl]phenyl]-2-oxabicyclo[2.2.2]octan-1-yl]propanoic acid
CID 146447441
[5-(4-cyclohexyloxyphenyl)-3-methyltriazol-4-yl]methyl N-methyl-N-(1-propylcyclopropyl)carbamate
CID 135379842
3-[4-[1-methyl-5-[[methyl(pentan-2-yl)carbamoyl]oxymethyl]triazol-4-yl]phenoxy]cyclohexane-1-carboxylic acid
CID 146440877

Frequently Asked Questions

What is the IUPAC name of [5-(4-cyclohexyloxy-3-fluorophenyl)-3-methyltriazol-4-yl]methyl N-(1-cyclopropylethyl)-N-methylcarbamate?
The IUPAC name of [5-(4-cyclohexyloxy-3-fluorophenyl)-3-methyltriazol-4-yl]methyl N-(1-cyclopropylethyl)-N-methylcarbamate (CID 135379838) is [5-(4-cyclohexyloxy-3-fluorophenyl)-3-methyltriazol-4-yl]methyl N-(1-cyclopropylethyl)-N-methylcarbamate.
What is the SMILES notation for [5-(4-cyclohexyloxy-3-fluorophenyl)-3-methyltriazol-4-yl]methyl N-(1-cyclopropylethyl)-N-methylcarbamate?
The canonical SMILES for [5-(4-cyclohexyloxy-3-fluorophenyl)-3-methyltriazol-4-yl]methyl N-(1-cyclopropylethyl)-N-methylcarbamate is CC(C1CC1)N(C)C(=O)OCc1c(-c2ccc(OC3CCCCC3)c(F)c2)nnn1C.
What is the InChIKey of [5-(4-cyclohexyloxy-3-fluorophenyl)-3-methyltriazol-4-yl]methyl N-(1-cyclopropylethyl)-N-methylcarbamate?
The InChIKey is UAPYLMVRCHFHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN4O3/c1-15(16-9-10-16)27(2)23(29)30-14-20-22(25-26-28(20)3)17-11-12-21(19(24)13-17)31-18-7-5-4-6-8-18/h11-13,15-16,18H,4-10,14H2,1-3H3.
What are the key properties of [5-(4-cyclohexyloxy-3-fluorophenyl)-3-methyltriazol-4-yl]methyl N-(1-cyclopropylethyl)-N-methylcarbamate?
[5-(4-cyclohexyloxy-3-fluorophenyl)-3-methyltriazol-4-yl]methyl N-(1-cyclopropylethyl)-N-methylcarbamate has a molecular weight of 430.52 g/mol, XLogP of 4.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-cyclohexyloxy-3-fluorophenyl)-3-methyltriazol-4-yl]methyl N-(1-cyclopropylethyl)-N-methylcarbamate is sourced from PubChem (CID 135379838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).