2-[(2-tert-butylcyclohexyl)amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide

C22H35N3O3 — CID 56570222

IUPAC2-[(2-tert-butylcyclohexyl)amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CNC2CCCCC2C(C)(C)C)c1
InChIInChI=1S/C22H35N3O3/c1-22(2,3)18-11-6-7-12-19(18)23-14-21(27)25(4)15-20(26)24-16-9-8-10-17(13-16)28-5/h8-10,13,18-19,23H,6-7,11-12,14-15H2,1-5H3,(H,24,26)
InChIKeyAJZHCESXYUPKRQ-UHFFFAOYSA-N
MW389.54 g/mol
LogP3.29
Rot. Bonds7

About 2-[(2-tert-butylcyclohexyl)amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide

2-[(2-tert-butylcyclohexyl)amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 56570222) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is 2-[(2-tert-butylcyclohexyl)amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-tert-butylcyclohexyl)amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID56570222
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC Name2-[(2-tert-butylcyclohexyl)amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CNC2CCCCC2C(C)(C)C)c1
InChIInChI=1S/C22H35N3O3/c1-22(2,3)18-11-6-7-12-19(18)23-14-21(27)25(4)15-20(26)24-16-9-8-10-17(13-16)28-5/h8-10,13,18-19,23H,6-7,11-12,14-15H2,1-5H3,(H,24,26)
InChIKeyAJZHCESXYUPKRQ-UHFFFAOYSA-N
XLogP3.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-tert-butylcyclohexyl)amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide with MolForge

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Related Compounds

N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 39975440
N-(3-methoxyphenyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]acetamide
CID 1133388
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 98545136
2-[[2-(hydroxymethyl)cyclohexyl]amino]-N-(3-methoxyphenyl)acetamide
CID 104696228
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
2-[(2S)-2-cyclohexylpyrrolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 95349532
2-[(2-tert-butylcyclohexyl)amino]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 56570187
N-(2-anilino-2-oxoethyl)-2-(cyclopentylamino)-N-methylacetamide
CID 60944498
2-[[2-(4-tert-butylphenoxy)acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 7970505
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918913
N-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 26624583
2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)acetamide
CID 43180111

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylcyclohexyl)amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-[(2-tert-butylcyclohexyl)amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide (CID 56570222) is 2-[(2-tert-butylcyclohexyl)amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-[(2-tert-butylcyclohexyl)amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-[(2-tert-butylcyclohexyl)amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide is COc1cccc(NC(=O)CN(C)C(=O)CNC2CCCCC2C(C)(C)C)c1.
What is the InChIKey of 2-[(2-tert-butylcyclohexyl)amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is AJZHCESXYUPKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-22(2,3)18-11-6-7-12-19(18)23-14-21(27)25(4)15-20(26)24-16-9-8-10-17(13-16)28-5/h8-10,13,18-19,23H,6-7,11-12,14-15H2,1-5H3,(H,24,26).
What are the key properties of 2-[(2-tert-butylcyclohexyl)amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
2-[(2-tert-butylcyclohexyl)amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 389.54 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylcyclohexyl)amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 56570222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).