(2R)-2-(3,4-dimethylphenoxy)-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]propanamide

C24H39N3O2 — CID 35579835

IUPAC(2R)-2-(3,4-dimethylphenoxy)-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]propanamide
SMILESCCN1CCN(C2(CNC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)CCCCC2)CC1
InChIInChI=1S/C24H39N3O2/c1-5-26-13-15-27(16-14-26)24(11-7-6-8-12-24)18-25-23(28)21(4)29-22-10-9-19(2)20(3)17-22/h9-10,17,21H,5-8,11-16,18H2,1-4H3,(H,25,28)/t21-/m1/s1
InChIKeyDUUABTSIADMIET-OAQYLSRUSA-N
MW401.60 g/mol
LogP3.53
Rot. Bonds7

About (2R)-2-(3,4-dimethylphenoxy)-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]propanamide

(2R)-2-(3,4-dimethylphenoxy)-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]propanamide (PubChem CID 35579835) has the molecular formula C24H39N3O2 and a molecular weight of 401.60 g/mol. Its IUPAC name is (2R)-2-(3,4-dimethylphenoxy)-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,4-dimethylphenoxy)-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]propanamide
PubChem CID35579835
Molecular FormulaC24H39N3O2
Molecular Weight401.60 g/mol
Exact Mass401.30
IUPAC Name(2R)-2-(3,4-dimethylphenoxy)-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]propanamide
SMILESCCN1CCN(C2(CNC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)CCCCC2)CC1
InChIInChI=1S/C24H39N3O2/c1-5-26-13-15-27(16-14-26)24(11-7-6-8-12-24)18-25-23(28)21(4)29-22-10-9-19(2)20(3)17-22/h9-10,17,21H,5-8,11-16,18H2,1-4H3,(H,25,28)/t21-/m1/s1
InChIKeyDUUABTSIADMIET-OAQYLSRUSA-N
XLogP3.53
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.60
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(3,4-dimethylphenoxy)-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]propanamide with MolForge

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Related Compounds

2-(4-ethylphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 17014106
2-(3,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 132651642
(2S)-2-(2-methoxyphenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 34948785
N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]thiophene-2-carboxamide
CID 35672039
(2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
CID 35341970
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(dimethylamino)cyclohexyl]methyl]propanamide
CID 34950856
(2R)-2-(3,4-dimethylphenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 9180877
2-(3,4-dimethylphenoxy)-N-[2-(4-ethylphenoxy)ethyl]propanamide
CID 133211029
(2R)-2-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 95077718
N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide
CID 133210994
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 46492636
N'-[2-(3,4-dimethylphenoxy)propanoyl]cyclopropanecarbohydrazide
CID 17169360

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]propanamide?
The IUPAC name of (2R)-2-(3,4-dimethylphenoxy)-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]propanamide (CID 35579835) is (2R)-2-(3,4-dimethylphenoxy)-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-(3,4-dimethylphenoxy)-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]propanamide?
The canonical SMILES for (2R)-2-(3,4-dimethylphenoxy)-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]propanamide is CCN1CCN(C2(CNC(=O)[C@@H](C)Oc3ccc(C)c(C)c3)CCCCC2)CC1.
What is the InChIKey of (2R)-2-(3,4-dimethylphenoxy)-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]propanamide?
The InChIKey is DUUABTSIADMIET-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H39N3O2/c1-5-26-13-15-27(16-14-26)24(11-7-6-8-12-24)18-25-23(28)21(4)29-22-10-9-19(2)20(3)17-22/h9-10,17,21H,5-8,11-16,18H2,1-4H3,(H,25,28)/t21-/m1/s1.
What are the key properties of (2R)-2-(3,4-dimethylphenoxy)-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]propanamide?
(2R)-2-(3,4-dimethylphenoxy)-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]propanamide has a molecular weight of 401.60 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dimethylphenoxy)-N-[[1-(4-ethylpiperazin-1-yl)cyclohexyl]methyl]propanamide is sourced from PubChem (CID 35579835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).