[4-methyl-5-[2-[5-methyl-2-(2-methylpropoxy)phenyl]ethyl]-2-pyridinyl] N-cyclopentylcarbamate

C25H34N2O3 — CID 143316490

IUPAC[4-methyl-5-[2-[5-methyl-2-(2-methylpropoxy)phenyl]ethyl]-2-pyridinyl] N-cyclopentylcarbamate
SMILESCc1ccc(OCC(C)C)c(CCc2cnc(OC(=O)NC3CCCC3)cc2C)c1
InChIInChI=1S/C25H34N2O3/c1-17(2)16-29-23-12-9-18(3)13-20(23)10-11-21-15-26-24(14-19(21)4)30-25(28)27-22-7-5-6-8-22/h9,12-15,17,22H,5-8,10-11,16H2,1-4H3,(H,27,28)
InChIKeyGOZRLDDSPAWKGU-UHFFFAOYSA-N
MW410.56 g/mol
LogP5.55
Rot. Bonds8

About [4-methyl-5-[2-[5-methyl-2-(2-methylpropoxy)phenyl]ethyl]-2-pyridinyl] N-cyclopentylcarbamate

[4-methyl-5-[2-[5-methyl-2-(2-methylpropoxy)phenyl]ethyl]-2-pyridinyl] N-cyclopentylcarbamate (PubChem CID 143316490) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is [4-methyl-5-[2-[5-methyl-2-(2-methylpropoxy)phenyl]ethyl]-2-pyridinyl] N-cyclopentylcarbamate.

Molecular Properties

Compound Name[4-methyl-5-[2-[5-methyl-2-(2-methylpropoxy)phenyl]ethyl]-2-pyridinyl] N-cyclopentylcarbamate
PubChem CID143316490
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name[4-methyl-5-[2-[5-methyl-2-(2-methylpropoxy)phenyl]ethyl]-2-pyridinyl] N-cyclopentylcarbamate
SMILESCc1ccc(OCC(C)C)c(CCc2cnc(OC(=O)NC3CCCC3)cc2C)c1
InChIInChI=1S/C25H34N2O3/c1-17(2)16-29-23-12-9-18(3)13-20(23)10-11-21-15-26-24(14-19(21)4)30-25(28)27-22-7-5-6-8-22/h9,12-15,17,22H,5-8,10-11,16H2,1-4H3,(H,27,28)
InChIKeyGOZRLDDSPAWKGU-UHFFFAOYSA-N
XLogP5.55
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-methyl-2-(2-methylpropoxy)phenyl]acetic acid
CID 39103888
(5-methyl-2-propan-2-ylphenyl) N-cyclohexylcarbamate
CID 134151064
2-[2-(2-aminoethyl)-4-methylphenoxy]-N-cyclohexylacetamide
CID 63325796
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-cyclopentylacetamide
CID 63326156
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630
N-cyclohexyl-2-(2,4-dimethylphenyl)acetamide
CID 56922648
2-[2-(2-aminopropyl)-4-methylphenoxy]-N-cyclopropylacetamide
CID 63326335
N-cyclopropyl-2-[2-(hydroxymethyl)-4-methylphenoxy]acetamide
CID 63325684
N-cyclopentyl-2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]acetamide
CID 63366475
1-cyclopentyl-3-[(2,4-dimethylphenyl)methyl]urea
CID 47322167
(2S)-N-cyclopentyl-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 8997511
N-cyclohexyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 94840112

Frequently Asked Questions

What is the IUPAC name of [4-methyl-5-[2-[5-methyl-2-(2-methylpropoxy)phenyl]ethyl]-2-pyridinyl] N-cyclopentylcarbamate?
The IUPAC name of [4-methyl-5-[2-[5-methyl-2-(2-methylpropoxy)phenyl]ethyl]-2-pyridinyl] N-cyclopentylcarbamate (CID 143316490) is [4-methyl-5-[2-[5-methyl-2-(2-methylpropoxy)phenyl]ethyl]-2-pyridinyl] N-cyclopentylcarbamate.
What is the SMILES notation for [4-methyl-5-[2-[5-methyl-2-(2-methylpropoxy)phenyl]ethyl]-2-pyridinyl] N-cyclopentylcarbamate?
The canonical SMILES for [4-methyl-5-[2-[5-methyl-2-(2-methylpropoxy)phenyl]ethyl]-2-pyridinyl] N-cyclopentylcarbamate is Cc1ccc(OCC(C)C)c(CCc2cnc(OC(=O)NC3CCCC3)cc2C)c1.
What is the InChIKey of [4-methyl-5-[2-[5-methyl-2-(2-methylpropoxy)phenyl]ethyl]-2-pyridinyl] N-cyclopentylcarbamate?
The InChIKey is GOZRLDDSPAWKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-17(2)16-29-23-12-9-18(3)13-20(23)10-11-21-15-26-24(14-19(21)4)30-25(28)27-22-7-5-6-8-22/h9,12-15,17,22H,5-8,10-11,16H2,1-4H3,(H,27,28).
What are the key properties of [4-methyl-5-[2-[5-methyl-2-(2-methylpropoxy)phenyl]ethyl]-2-pyridinyl] N-cyclopentylcarbamate?
[4-methyl-5-[2-[5-methyl-2-(2-methylpropoxy)phenyl]ethyl]-2-pyridinyl] N-cyclopentylcarbamate has a molecular weight of 410.56 g/mol, XLogP of 5.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-5-[2-[5-methyl-2-(2-methylpropoxy)phenyl]ethyl]-2-pyridinyl] N-cyclopentylcarbamate is sourced from PubChem (CID 143316490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).