2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-cyanocyclohexyl)-N-methylacetamide

C18H24ClN3O2 — CID 32899898

IUPAC2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-cyanocyclohexyl)-N-methylacetamide
SMILESCOc1cc(Cl)c(C)cc1NCC(=O)N(C)C1(C#N)CCCCC1
InChIInChI=1S/C18H24ClN3O2/c1-13-9-15(16(24-3)10-14(13)19)21-11-17(23)22(2)18(12-20)7-5-4-6-8-18/h9-10,21H,4-8,11H2,1-3H3
InChIKeyKVZWPOASZPNSQX-UHFFFAOYSA-N
MW349.86 g/mol
LogP3.75
Rot. Bonds5

About 2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-cyanocyclohexyl)-N-methylacetamide

2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-cyanocyclohexyl)-N-methylacetamide (PubChem CID 32899898) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-cyanocyclohexyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-cyanocyclohexyl)-N-methylacetamide
PubChem CID32899898
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-cyanocyclohexyl)-N-methylacetamide
SMILESCOc1cc(Cl)c(C)cc1NCC(=O)N(C)C1(C#N)CCCCC1
InChIInChI=1S/C18H24ClN3O2/c1-13-9-15(16(24-3)10-14(13)19)21-11-17(23)22(2)18(12-20)7-5-4-6-8-18/h9-10,21H,4-8,11H2,1-3H3
InChIKeyKVZWPOASZPNSQX-UHFFFAOYSA-N
XLogP3.75
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopropyl-N-methylacetamide
CID 61488860
N-(1-cyanocyclohexyl)-N-methyl-2-(2-phenoxyanilino)acetamide
CID 32899810
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253937
1-[(5-chloro-2-methoxy-4-methylanilino)methyl]cyclobutane-1-carbonitrile
CID 115245026
2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 47123138
3-(4-chloro-2-methoxy-5-methylanilino)propanenitrile
CID 43082744
2-(4-chloro-2-methoxy-5-methylanilino)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-phenylacetamide
CID 39975418
methyl 4-(4-chloro-2-methoxy-5-methylanilino)butanoate
CID 43377816
[(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 3-chloro-4,5-dimethoxybenzoate
CID 8952488
N-(1-cyanocyclohexyl)-2-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-N-methylacetamide
CID 55626665
1-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 39965916
3-[[2-(4-chloro-2-methoxy-5-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 29459517

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-cyanocyclohexyl)-N-methylacetamide?
The IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-cyanocyclohexyl)-N-methylacetamide (CID 32899898) is 2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-cyanocyclohexyl)-N-methylacetamide.
What is the SMILES notation for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-cyanocyclohexyl)-N-methylacetamide?
The canonical SMILES for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-cyanocyclohexyl)-N-methylacetamide is COc1cc(Cl)c(C)cc1NCC(=O)N(C)C1(C#N)CCCCC1.
What is the InChIKey of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-cyanocyclohexyl)-N-methylacetamide?
The InChIKey is KVZWPOASZPNSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-13-9-15(16(24-3)10-14(13)19)21-11-17(23)22(2)18(12-20)7-5-4-6-8-18/h9-10,21H,4-8,11H2,1-3H3.
What are the key properties of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-cyanocyclohexyl)-N-methylacetamide?
2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-cyanocyclohexyl)-N-methylacetamide has a molecular weight of 349.86 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(1-cyanocyclohexyl)-N-methylacetamide is sourced from PubChem (CID 32899898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).