(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(dimethylamino)cyclohexyl]methyl]propanamide

C20H31ClN2O2 — CID 34950856

IUPAC(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(dimethylamino)cyclohexyl]methyl]propanamide
SMILESCc1cc(O[C@H](C)C(=O)NCC2(N(C)C)CCCCC2)cc(C)c1Cl
InChIInChI=1S/C20H31ClN2O2/c1-14-11-17(12-15(2)18(14)21)25-16(3)19(24)22-13-20(23(4)5)9-7-6-8-10-20/h11-12,16H,6-10,13H2,1-5H3,(H,22,24)/t16-/m1/s1
InChIKeyZZGRLJFRRHYJOM-MRXNPFEDSA-N
MW366.93 g/mol
LogP4.10
Rot. Bonds6

About (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(dimethylamino)cyclohexyl]methyl]propanamide

(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(dimethylamino)cyclohexyl]methyl]propanamide (PubChem CID 34950856) has the molecular formula C20H31ClN2O2 and a molecular weight of 366.93 g/mol. Its IUPAC name is (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(dimethylamino)cyclohexyl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(dimethylamino)cyclohexyl]methyl]propanamide
PubChem CID34950856
Molecular FormulaC20H31ClN2O2
Molecular Weight366.93 g/mol
Exact Mass366.21
IUPAC Name(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(dimethylamino)cyclohexyl]methyl]propanamide
SMILESCc1cc(O[C@H](C)C(=O)NCC2(N(C)C)CCCCC2)cc(C)c1Cl
InChIInChI=1S/C20H31ClN2O2/c1-14-11-17(12-15(2)18(14)21)25-16(3)19(24)22-13-20(23(4)5)9-7-6-8-10-20/h11-12,16H,6-10,13H2,1-5H3,(H,22,24)/t16-/m1/s1
InChIKeyZZGRLJFRRHYJOM-MRXNPFEDSA-N
XLogP4.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.93
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[[1-(dimethylamino)cyclopentyl]methyl]-2-(3-methylphenoxy)propanamide
CID 94109673
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-methoxypropanamide
CID 105420622
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 47031359
2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 19191627
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-sulfanylpropanamide
CID 107034071
2-(4-chloro-3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133187825
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-3,5-dimethylphenoxy)propanamide
CID 1306650
2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanamide
CID 61248438
2-(4-chloro-3,5-dimethylphenoxy)-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133189337
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 133164196
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 95712610
1-[2-(4-chloro-3,5-dimethylphenoxy)propanoylamino]-3-ethylthiourea
CID 4503596

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(dimethylamino)cyclohexyl]methyl]propanamide?
The IUPAC name of (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(dimethylamino)cyclohexyl]methyl]propanamide (CID 34950856) is (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(dimethylamino)cyclohexyl]methyl]propanamide.
What is the SMILES notation for (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(dimethylamino)cyclohexyl]methyl]propanamide?
The canonical SMILES for (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(dimethylamino)cyclohexyl]methyl]propanamide is Cc1cc(O[C@H](C)C(=O)NCC2(N(C)C)CCCCC2)cc(C)c1Cl.
What is the InChIKey of (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(dimethylamino)cyclohexyl]methyl]propanamide?
The InChIKey is ZZGRLJFRRHYJOM-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H31ClN2O2/c1-14-11-17(12-15(2)18(14)21)25-16(3)19(24)22-13-20(23(4)5)9-7-6-8-10-20/h11-12,16H,6-10,13H2,1-5H3,(H,22,24)/t16-/m1/s1.
What are the key properties of (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(dimethylamino)cyclohexyl]methyl]propanamide?
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(dimethylamino)cyclohexyl]methyl]propanamide has a molecular weight of 366.93 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[[1-(dimethylamino)cyclohexyl]methyl]propanamide is sourced from PubChem (CID 34950856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).