[5-(4-cyclohexyloxyphenyl)-3-methyltriazol-4-yl]methyl N-methyl-N-(1-propylcyclopropyl)carbamate

C24H34N4O3 — CID 135379842

IUPAC[5-(4-cyclohexyloxyphenyl)-3-methyltriazol-4-yl]methyl N-methyl-N-(1-propylcyclopropyl)carbamate
SMILESCCCC1(N(C)C(=O)OCc2c(-c3ccc(OC4CCCCC4)cc3)nnn2C)CC1
InChIInChI=1S/C24H34N4O3/c1-4-14-24(15-16-24)27(2)23(29)30-17-21-22(25-26-28(21)3)18-10-12-20(13-11-18)31-19-8-6-5-7-9-19/h10-13,19H,4-9,14-17H2,1-3H3
InChIKeyHHBPSZUSMDJDAU-UHFFFAOYSA-N
MW426.56 g/mol
LogP5.09
Rot. Bonds8

About [5-(4-cyclohexyloxyphenyl)-3-methyltriazol-4-yl]methyl N-methyl-N-(1-propylcyclopropyl)carbamate

[5-(4-cyclohexyloxyphenyl)-3-methyltriazol-4-yl]methyl N-methyl-N-(1-propylcyclopropyl)carbamate (PubChem CID 135379842) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is [5-(4-cyclohexyloxyphenyl)-3-methyltriazol-4-yl]methyl N-methyl-N-(1-propylcyclopropyl)carbamate.

Molecular Properties

Compound Name[5-(4-cyclohexyloxyphenyl)-3-methyltriazol-4-yl]methyl N-methyl-N-(1-propylcyclopropyl)carbamate
PubChem CID135379842
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name[5-(4-cyclohexyloxyphenyl)-3-methyltriazol-4-yl]methyl N-methyl-N-(1-propylcyclopropyl)carbamate
SMILESCCCC1(N(C)C(=O)OCc2c(-c3ccc(OC4CCCCC4)cc3)nnn2C)CC1
InChIInChI=1S/C24H34N4O3/c1-4-14-24(15-16-24)27(2)23(29)30-17-21-22(25-26-28(21)3)18-10-12-20(13-11-18)31-19-8-6-5-7-9-19/h10-13,19H,4-9,14-17H2,1-3H3
InChIKeyHHBPSZUSMDJDAU-UHFFFAOYSA-N
XLogP5.09
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.56
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-(1-ethylcyclopropyl)-N-methylcarbamate
CID 154936276
3-[4-[1-methyl-5-[[methyl(pentan-2-yl)carbamoyl]oxymethyl]triazol-4-yl]phenoxy]cyclohexane-1-carboxylic acid
CID 146440877
CID 158872840
CID 158872840
[5-(5-cyclohexyloxy-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-cyclobutyl-N-methylcarbamate
CID 154936020
[(Z)-3-amino-2-[amino(methyl)amino]-3-(5-cyclohexyloxy-2-pyridinyl)prop-2-enyl] N-methyl-N-(1-propylcyclopropyl)carbamate
CID 145423829
[5-(4-cyclohexyloxy-3-fluorophenyl)-3-methyltriazol-4-yl]methyl N-(1-cyclopropylethyl)-N-methylcarbamate
CID 135379838
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-methyl-N-(2-methylpentan-2-yl)carbamate
CID 145423839
3-[4-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]phenoxy]cyclohexane-1-carboxylic acid
CID 155123427
[5-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-3-methyltriazol-4-yl]methyl N-ethyl-N-propylcarbamate
CID 154935976
(E)-N-[[5-(4-cyclohexyloxyphenyl)-3-methyltriazol-4-yl]methyl]-3-phenylprop-2-enamide
CID 155007810
[3-methyl-5-(4-methylphenyl)triazol-4-yl]methyl N-benzyl-N-methylcarbamate
CID 163497442
trans-propan-2-yl (1S,3S)-3-[4-[5-(aminomethyl)-1-methyltriazol-4-yl]phenoxy]cyclohexane-1-carboxylate
CID 155678553

Frequently Asked Questions

What is the IUPAC name of [5-(4-cyclohexyloxyphenyl)-3-methyltriazol-4-yl]methyl N-methyl-N-(1-propylcyclopropyl)carbamate?
The IUPAC name of [5-(4-cyclohexyloxyphenyl)-3-methyltriazol-4-yl]methyl N-methyl-N-(1-propylcyclopropyl)carbamate (CID 135379842) is [5-(4-cyclohexyloxyphenyl)-3-methyltriazol-4-yl]methyl N-methyl-N-(1-propylcyclopropyl)carbamate.
What is the SMILES notation for [5-(4-cyclohexyloxyphenyl)-3-methyltriazol-4-yl]methyl N-methyl-N-(1-propylcyclopropyl)carbamate?
The canonical SMILES for [5-(4-cyclohexyloxyphenyl)-3-methyltriazol-4-yl]methyl N-methyl-N-(1-propylcyclopropyl)carbamate is CCCC1(N(C)C(=O)OCc2c(-c3ccc(OC4CCCCC4)cc3)nnn2C)CC1.
What is the InChIKey of [5-(4-cyclohexyloxyphenyl)-3-methyltriazol-4-yl]methyl N-methyl-N-(1-propylcyclopropyl)carbamate?
The InChIKey is HHBPSZUSMDJDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-4-14-24(15-16-24)27(2)23(29)30-17-21-22(25-26-28(21)3)18-10-12-20(13-11-18)31-19-8-6-5-7-9-19/h10-13,19H,4-9,14-17H2,1-3H3.
What are the key properties of [5-(4-cyclohexyloxyphenyl)-3-methyltriazol-4-yl]methyl N-methyl-N-(1-propylcyclopropyl)carbamate?
[5-(4-cyclohexyloxyphenyl)-3-methyltriazol-4-yl]methyl N-methyl-N-(1-propylcyclopropyl)carbamate has a molecular weight of 426.56 g/mol, XLogP of 5.09, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-cyclohexyloxyphenyl)-3-methyltriazol-4-yl]methyl N-methyl-N-(1-propylcyclopropyl)carbamate is sourced from PubChem (CID 135379842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).